Organoheterocyclic compounds
Filtered Search Results
Gibberellic acid, 98%
CAS: 77-06-5 Molecular Formula: C19H22O6 Molecular Weight (g/mol): 346.38 MDL Number: MFCD00079329 InChI Key: IXORZMNAPKEEDV-QTWFBFKQSA-N Synonym: gibberellic acid,gibberellin a3,gibberellin,gibreskol,brellin,cekugib,grocel,gibberellin x,gibberellic acid ga3,gib-tabs PubChem CID: 91757643 IUPAC Name: (1R,2R,5S,8S,9S,10R,12S)-5,12-dihydroxy-11-methyl-6-methylidene-16-oxo-15-oxapentacyclo[9.3.2.1⁵,⁸.0¹,¹⁰.0²,⁸]heptadec-13-ene-9-carboxylic acid SMILES: CC12[C@H]3[C@H](C(O)=O)[C@@]45CC(=C)[C@@](O)(C4)CC[C@H]5[C@]3(OC1=O)C=C[C@@H]2O
| PubChem CID | 91757643 |
|---|---|
| CAS | 77-06-5 |
| Molecular Weight (g/mol) | 346.38 |
| MDL Number | MFCD00079329 |
| SMILES | CC12[C@H]3[C@H](C(O)=O)[C@@]45CC(=C)[C@@](O)(C4)CC[C@H]5[C@]3(OC1=O)C=C[C@@H]2O |
| Synonym | gibberellic acid,gibberellin a3,gibberellin,gibreskol,brellin,cekugib,grocel,gibberellin x,gibberellic acid ga3,gib-tabs |
| IUPAC Name | (1R,2R,5S,8S,9S,10R,12S)-5,12-dihydroxy-11-methyl-6-methylidene-16-oxo-15-oxapentacyclo[9.3.2.1⁵,⁸.0¹,¹⁰.0²,⁸]heptadec-13-ene-9-carboxylic acid |
| InChI Key | IXORZMNAPKEEDV-QTWFBFKQSA-N |
| Molecular Formula | C19H22O6 |
Hemin (porcine), 97+%
CAS: 16009-13-5 Molecular Formula: C34H32ClFeN4O4 Molecular Weight (g/mol): 651.95 MDL Number: MFCD00010726 InChI Key: BTIJJDXEELBZFS-HXFTUNQESA-K Synonym: chlorohemin,hemin chloride,protoferriheme,ferriheme,ferriprotoporphyrin ix chloride,ferriprotoporphyrin ix,panhematin,protohemin,protohemin ix,ferriprotoporphyrin PubChem CID: 131675604 IUPAC Name: 3-[(1Z,6Z,12Z,17Z)-5-(2-carboxyethyl)-22-chloro-15,20-diethenyl-4,10,14,19-tetramethyl-21,23,24,25-tetraaza-22-ferrahexacyclo[9.9.3.1³,⁶.1¹³,¹⁶.0⁸,²³.0¹⁸,²¹]pentacosa-1,3(25),4,6,8,10,12,14,16(24),17,19-undecaen-9-yl]propanoic acid SMILES: CC1=C(CCC(O)=O)\C2=C\C3=C(CCC(O)=O)C(C)=C4\C=C5/N=C(/C=C6\N([Fe](Cl)N34)\C(=C/C1=N2)C(C=C)=C6C)C(C=C)=C5C
| PubChem CID | 131675604 |
|---|---|
| CAS | 16009-13-5 |
| Molecular Weight (g/mol) | 651.95 |
| MDL Number | MFCD00010726 |
| SMILES | CC1=C(CCC(O)=O)\C2=C\C3=C(CCC(O)=O)C(C)=C4\C=C5/N=C(/C=C6\N([Fe](Cl)N34)\C(=C/C1=N2)C(C=C)=C6C)C(C=C)=C5C |
| Synonym | chlorohemin,hemin chloride,protoferriheme,ferriheme,ferriprotoporphyrin ix chloride,ferriprotoporphyrin ix,panhematin,protohemin,protohemin ix,ferriprotoporphyrin |
| IUPAC Name | 3-[(1Z,6Z,12Z,17Z)-5-(2-carboxyethyl)-22-chloro-15,20-diethenyl-4,10,14,19-tetramethyl-21,23,24,25-tetraaza-22-ferrahexacyclo[9.9.3.1³,⁶.1¹³,¹⁶.0⁸,²³.0¹⁸,²¹]pentacosa-1,3(25),4,6,8,10,12,14,16(24),17,19-undecaen-9-yl]propanoic acid |
| InChI Key | BTIJJDXEELBZFS-HXFTUNQESA-K |
| Molecular Formula | C34H32ClFeN4O4 |
Pyridoxine hydrochloride, 99%
CAS: 58-56-0 Molecular Formula: C8H12ClNO3 Molecular Weight (g/mol): 205.638 MDL Number: MFCD00012807 InChI Key: ZUFQODAHGAHPFQ-UHFFFAOYSA-N Synonym: pyridoxine hydrochloride,pyridoxine hcl,pyridoxol hydrochloride,vitamin b6,alestrol,becilan,benadon,hexavibex,hexermin,hexobion PubChem CID: 6019 ChEBI: CHEBI:30961 IUPAC Name: 4,5-bis(hydroxymethyl)-2-methylpyridin-3-ol;hydrochloride SMILES: CC1=NC=C(C(=C1O)CO)CO.Cl
| PubChem CID | 6019 |
|---|---|
| CAS | 58-56-0 |
| Molecular Weight (g/mol) | 205.638 |
| ChEBI | CHEBI:30961 |
| MDL Number | MFCD00012807 |
| SMILES | CC1=NC=C(C(=C1O)CO)CO.Cl |
| Synonym | pyridoxine hydrochloride,pyridoxine hcl,pyridoxol hydrochloride,vitamin b6,alestrol,becilan,benadon,hexavibex,hexermin,hexobion |
| IUPAC Name | 4,5-bis(hydroxymethyl)-2-methylpyridin-3-ol;hydrochloride |
| InChI Key | ZUFQODAHGAHPFQ-UHFFFAOYSA-N |
| Molecular Formula | C8H12ClNO3 |
Thermo Scientific Chemicals Hemin, 98%, porcine
CAS: 16009-13-5 Molecular Formula: C34H32ClFeN4O4 Molecular Weight (g/mol): 651.95 MDL Number: MFCD00010726 InChI Key: BTIJJDXEELBZFS-HXFTUNQESA-K Synonym: chlorohemin,hemin chloride,protoferriheme,ferriheme,ferriprotoporphyrin ix chloride,ferriprotoporphyrin ix,panhematin,protohemin,protohemin ix,ferriprotoporphyrin PubChem CID: 131675604 IUPAC Name: 3-[(1Z,6Z,12Z,17Z)-5-(2-carboxyethyl)-22-chloro-15,20-diethenyl-4,10,14,19-tetramethyl-21,23,24,25-tetraaza-22-ferrahexacyclo[9.9.3.1³,⁶.1¹³,¹⁶.0⁸,²³.0¹⁸,²¹]pentacosa-1,3(25),4,6,8,10,12,14,16(24),17,19-undecaen-9-yl]propanoic acid SMILES: CC1=C(CCC(O)=O)\C2=C\C3=C(CCC(O)=O)C(C)=C4\C=C5/N=C(/C=C6\N([Fe](Cl)N34)\C(=C/C1=N2)C(C=C)=C6C)C(C=C)=C5C
| PubChem CID | 131675604 |
|---|---|
| CAS | 16009-13-5 |
| Molecular Weight (g/mol) | 651.95 |
| MDL Number | MFCD00010726 |
| SMILES | CC1=C(CCC(O)=O)\C2=C\C3=C(CCC(O)=O)C(C)=C4\C=C5/N=C(/C=C6\N([Fe](Cl)N34)\C(=C/C1=N2)C(C=C)=C6C)C(C=C)=C5C |
| Synonym | chlorohemin,hemin chloride,protoferriheme,ferriheme,ferriprotoporphyrin ix chloride,ferriprotoporphyrin ix,panhematin,protohemin,protohemin ix,ferriprotoporphyrin |
| IUPAC Name | 3-[(1Z,6Z,12Z,17Z)-5-(2-carboxyethyl)-22-chloro-15,20-diethenyl-4,10,14,19-tetramethyl-21,23,24,25-tetraaza-22-ferrahexacyclo[9.9.3.1³,⁶.1¹³,¹⁶.0⁸,²³.0¹⁸,²¹]pentacosa-1,3(25),4,6,8,10,12,14,16(24),17,19-undecaen-9-yl]propanoic acid |
| InChI Key | BTIJJDXEELBZFS-HXFTUNQESA-K |
| Molecular Formula | C34H32ClFeN4O4 |
Phthalic anhydride, ACS, 99.0-100.2%
CAS: 85-44-9 Molecular Formula: C8H4O3 Molecular Weight (g/mol): 148.12 MDL Number: MFCD00005918 InChI Key: LGRFSURHDFAFJT-UHFFFAOYSA-N Synonym: phthalic anhydride,isobenzofuran-1,3-dione,1,3-isobenzofurandione,1,3-dioxophthalan,1,3-phthalandione,phthalsaeureanhydrid,phthalic acid anhydride,o-phthalic acid anhydride,phthalandione,retarder esen PubChem CID: 6811 ChEBI: CHEBI:36605 IUPAC Name: 2-benzofuran-1,3-dione SMILES: O=C1OC(=O)C2=CC=CC=C12
| PubChem CID | 6811 |
|---|---|
| CAS | 85-44-9 |
| Molecular Weight (g/mol) | 148.12 |
| ChEBI | CHEBI:36605 |
| MDL Number | MFCD00005918 |
| SMILES | O=C1OC(=O)C2=CC=CC=C12 |
| Synonym | phthalic anhydride,isobenzofuran-1,3-dione,1,3-isobenzofurandione,1,3-dioxophthalan,1,3-phthalandione,phthalsaeureanhydrid,phthalic acid anhydride,o-phthalic acid anhydride,phthalandione,retarder esen |
| IUPAC Name | 2-benzofuran-1,3-dione |
| InChI Key | LGRFSURHDFAFJT-UHFFFAOYSA-N |
| Molecular Formula | C8H4O3 |
Bicinchoninic acid disodium salt
CAS: 979-88-4 Molecular Formula: C20H10N2Na2O4 Molecular Weight (g/mol): 388.29 MDL Number: MFCD00037500 InChI Key: AUPXFICLXPLHBB-UHFFFAOYSA-L Synonym: sodium 2,2'-biquinoline-4,4'-dicarboxylate,2,2'-biquinoline-4,4-dicarboxylic acid disodium salt,2,2'-biquinoline-4,4'-dicarboxylic acid, disodium salt,sodium bicinchoninate,2,2'-biquinoline-4,4'-dicarboxylic acid disodium salt,disodium 2,2'-biquinoline-4,4'-dicarboxylate,bicinchoninic acid disodium salt,bca,2,2'-biquinoline-4,4'-dicarboxylic acid, sodium salt 1:2 PubChem CID: 164763 SMILES: [Na+].[Na+].[O-]C(=O)C1=C2C=CC=CC2=NC(=C1)C1=CC(C([O-])=O)=C2C=CC=CC2=N1
| PubChem CID | 164763 |
|---|---|
| CAS | 979-88-4 |
| Molecular Weight (g/mol) | 388.29 |
| MDL Number | MFCD00037500 |
| SMILES | [Na+].[Na+].[O-]C(=O)C1=C2C=CC=CC2=NC(=C1)C1=CC(C([O-])=O)=C2C=CC=CC2=N1 |
| Synonym | sodium 2,2'-biquinoline-4,4'-dicarboxylate,2,2'-biquinoline-4,4-dicarboxylic acid disodium salt,2,2'-biquinoline-4,4'-dicarboxylic acid, disodium salt,sodium bicinchoninate,2,2'-biquinoline-4,4'-dicarboxylic acid disodium salt,disodium 2,2'-biquinoline-4,4'-dicarboxylate,bicinchoninic acid disodium salt,bca,2,2'-biquinoline-4,4'-dicarboxylic acid, sodium salt 1:2 |
| InChI Key | AUPXFICLXPLHBB-UHFFFAOYSA-L |
| Molecular Formula | C20H10N2Na2O4 |
Nicotinic acid, 99%
CAS: 59-67-6 Molecular Formula: C6H5NO2 Molecular Weight (g/mol): 123.11 MDL Number: MFCD00006391 InChI Key: PVNIIMVLHYAWGP-UHFFFAOYSA-N Synonym: nicotinic acid,niacin,3-pyridinecarboxylic acid,3-carboxypyridine,wampocap,acidum nicotinicum,apelagrin,pellagrin,akotin,daskil PubChem CID: 938 ChEBI: CHEBI:15940 IUPAC Name: pyridine-3-carboxylic acid SMILES: OC(=O)C1=CC=CN=C1
| PubChem CID | 938 |
|---|---|
| CAS | 59-67-6 |
| Molecular Weight (g/mol) | 123.11 |
| ChEBI | CHEBI:15940 |
| MDL Number | MFCD00006391 |
| SMILES | OC(=O)C1=CC=CN=C1 |
| Synonym | nicotinic acid,niacin,3-pyridinecarboxylic acid,3-carboxypyridine,wampocap,acidum nicotinicum,apelagrin,pellagrin,akotin,daskil |
| IUPAC Name | pyridine-3-carboxylic acid |
| InChI Key | PVNIIMVLHYAWGP-UHFFFAOYSA-N |
| Molecular Formula | C6H5NO2 |
o-Cresolphthalein
CAS: 596-27-0 Molecular Formula: C22H18O4 Molecular Weight (g/mol): 346.38 MDL Number: MFCD00005912 InChI Key: CPBJMKMKNCRKQB-UHFFFAOYSA-N Synonym: o-cresolphthalein,cresolphthalein,3,3'-dimethylphenolphthalein,1 3h-isobenzofuranone, 3,3-bis 4-hydroxy-3-methylphenyl,3',3-dimethylphenolphthalein,o-cresolphalein,3,3-bis 4-hydroxy-3-methylphenyl isobenzofuran-1 3h-one,unii-xou2d9049g,phenolphthalein, 3',3-dimethyl,3,3-bis 4-hydroxy-m-tolyl phthalide PubChem CID: 68995 SMILES: CC1=CC(=CC=C1O)C1(OC(=O)C2=CC=CC=C12)C1=CC=C(O)C(C)=C1
| PubChem CID | 68995 |
|---|---|
| CAS | 596-27-0 |
| Molecular Weight (g/mol) | 346.38 |
| MDL Number | MFCD00005912 |
| SMILES | CC1=CC(=CC=C1O)C1(OC(=O)C2=CC=CC=C12)C1=CC=C(O)C(C)=C1 |
| Synonym | o-cresolphthalein,cresolphthalein,3,3'-dimethylphenolphthalein,1 3h-isobenzofuranone, 3,3-bis 4-hydroxy-3-methylphenyl,3',3-dimethylphenolphthalein,o-cresolphalein,3,3-bis 4-hydroxy-3-methylphenyl isobenzofuran-1 3h-one,unii-xou2d9049g,phenolphthalein, 3',3-dimethyl,3,3-bis 4-hydroxy-m-tolyl phthalide |
| InChI Key | CPBJMKMKNCRKQB-UHFFFAOYSA-N |
| Molecular Formula | C22H18O4 |
Vitamin B12, 98+% (dry wt basis)
CAS: 68-19-9 Molecular Formula: C63H89CoN14O14P Molecular Weight (g/mol): 1356.396 MDL Number: MFCD00151092 InChI Key: AGVAZMGAQJOSFJ-WZHZPDAFSA-M Synonym: vitamin b12 PubChem CID: 129893524 IUPAC Name: cobalt(2+);[(2R,3S,4R,5S)-5-(5,6-dimethylbenzimidazol-1-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] [(2R)-1-[3-[(1R,2R,3R,5Z,7S,10Z,12S,13S,15Z,17S,18S,19R)-2,13,18-tris(2-amino-2-oxoethyl)-7,12,17-tris(3-amino-3-oxopropyl)-3,5,8,8,13,15,18,19-octamethyl- SMILES: CC1=CC2=C(C=C1C)N(C=N2)C3C(C(C(O3)CO)OP(=O)(O)OC(C)CNC(=O)CCC4(C(C5C6(C(C(C(=C(C7=NC(=CC8=NC(=C(C4=N5)C)C(C8(C)C)CCC(=O)N)C(C7(C)CC(=O)N)CCC(=O)N)C)[N-]6)CCC(=O)N)(C)CC(=O)N)C)CC(=O)N)C)O.[C-]#N.[Co+2]
| PubChem CID | 129893524 |
|---|---|
| CAS | 68-19-9 |
| Molecular Weight (g/mol) | 1356.396 |
| MDL Number | MFCD00151092 |
| SMILES | CC1=CC2=C(C=C1C)N(C=N2)C3C(C(C(O3)CO)OP(=O)(O)OC(C)CNC(=O)CCC4(C(C5C6(C(C(C(=C(C7=NC(=CC8=NC(=C(C4=N5)C)C(C8(C)C)CCC(=O)N)C(C7(C)CC(=O)N)CCC(=O)N)C)[N-]6)CCC(=O)N)(C)CC(=O)N)C)CC(=O)N)C)O.[C-]#N.[Co+2] |
| Synonym | vitamin b12 |
| IUPAC Name | cobalt(2+);[(2R,3S,4R,5S)-5-(5,6-dimethylbenzimidazol-1-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] [(2R)-1-[3-[(1R,2R,3R,5Z,7S,10Z,12S,13S,15Z,17S,18S,19R)-2,13,18-tris(2-amino-2-oxoethyl)-7,12,17-tris(3-amino-3-oxopropyl)-3,5,8,8,13,15,18,19-octamethyl- |
| InChI Key | AGVAZMGAQJOSFJ-WZHZPDAFSA-M |
| Molecular Formula | C63H89CoN14O14P |
Serotonin hydrochloride, 98%
CAS: 153-98-0 Molecular Formula: C10H13ClN2O Molecular Weight (g/mol): 212.677 MDL Number: MFCD00012686 InChI Key: MDIGAZPGKJFIAH-UHFFFAOYSA-N Synonym: serotonin hydrochloride,5-hydroxytryptamine hydrochloride,3-2-aminoethyl-1h-indol-5-ol hydrochloride,serotonin hcl,5-hydroxytryptamine hcl,unii-gkn429m9vs,ccris 4420,1h-indol-5-ol, 3-2-aminoethyl-, monohydrochloride,gkn429m9vs,3-2-aminoethyl indol-5-ol, chloride PubChem CID: 160436 IUPAC Name: 3-(2-aminoethyl)-1H-indol-5-ol;hydrochloride SMILES: C1=CC2=C(C=C1O)C(=CN2)CCN.Cl
| PubChem CID | 160436 |
|---|---|
| CAS | 153-98-0 |
| Molecular Weight (g/mol) | 212.677 |
| MDL Number | MFCD00012686 |
| SMILES | C1=CC2=C(C=C1O)C(=CN2)CCN.Cl |
| Synonym | serotonin hydrochloride,5-hydroxytryptamine hydrochloride,3-2-aminoethyl-1h-indol-5-ol hydrochloride,serotonin hcl,5-hydroxytryptamine hcl,unii-gkn429m9vs,ccris 4420,1h-indol-5-ol, 3-2-aminoethyl-, monohydrochloride,gkn429m9vs,3-2-aminoethyl indol-5-ol, chloride |
| IUPAC Name | 3-(2-aminoethyl)-1H-indol-5-ol;hydrochloride |
| InChI Key | MDIGAZPGKJFIAH-UHFFFAOYSA-N |
| Molecular Formula | C10H13ClN2O |
1,2,4-Triazole, 99%
CAS: 288-88-0 Molecular Formula: C2H3N3 Molecular Weight (g/mol): 69.067 MDL Number: MFCD00005228 InChI Key: NSPMIYGKQJPBQR-UHFFFAOYSA-N Synonym: 1,2,4-triazole,4h-1,2,4-triazole,pyrrodiazole,s-triazole,1,2,4-1h-triazole,1h-1,2,4-triazol,unii-10ms0y1rdi,1,2,4 triazole,1,2,4-triazol,4h-1,2,4-triazole van PubChem CID: 9257 ChEBI: CHEBI:35550 IUPAC Name: 1H-1,2,4-triazole SMILES: C1=NC=NN1
| PubChem CID | 9257 |
|---|---|
| CAS | 288-88-0 |
| Molecular Weight (g/mol) | 69.067 |
| ChEBI | CHEBI:35550 |
| MDL Number | MFCD00005228 |
| SMILES | C1=NC=NN1 |
| Synonym | 1,2,4-triazole,4h-1,2,4-triazole,pyrrodiazole,s-triazole,1,2,4-1h-triazole,1h-1,2,4-triazol,unii-10ms0y1rdi,1,2,4 triazole,1,2,4-triazol,4h-1,2,4-triazole van |
| IUPAC Name | 1H-1,2,4-triazole |
| InChI Key | NSPMIYGKQJPBQR-UHFFFAOYSA-N |
| Molecular Formula | C2H3N3 |
2-Furylacetone, 99%
CAS: 6975-60-6 Molecular Formula: C7H8O2 Molecular Weight (g/mol): 124.139 MDL Number: MFCD02683084 InChI Key: IQOJTGSBENZIOL-UHFFFAOYSA-N Synonym: 2-furylacetone,furylacetone,2-acetonylfuran,2-propanone, 1-2-furanyl,furfuryl methyl ketone,1-2-furyl-2-propanone,methyl furfuryl ketone,1-2-furanyl-2-propanone,2-furfuryl methyl ketone,2-furyl-2-propanone PubChem CID: 228583 IUPAC Name: 1-(furan-2-yl)propan-2-one SMILES: CC(=O)CC1=CC=CO1
| PubChem CID | 228583 |
|---|---|
| CAS | 6975-60-6 |
| Molecular Weight (g/mol) | 124.139 |
| MDL Number | MFCD02683084 |
| SMILES | CC(=O)CC1=CC=CO1 |
| Synonym | 2-furylacetone,furylacetone,2-acetonylfuran,2-propanone, 1-2-furanyl,furfuryl methyl ketone,1-2-furyl-2-propanone,methyl furfuryl ketone,1-2-furanyl-2-propanone,2-furfuryl methyl ketone,2-furyl-2-propanone |
| IUPAC Name | 1-(furan-2-yl)propan-2-one |
| InChI Key | IQOJTGSBENZIOL-UHFFFAOYSA-N |
| Molecular Formula | C7H8O2 |
4-Chloro-7-nitrobenzofurazan, 98%
CAS: 10199-89-0 Molecular Formula: C6H2ClN3O3 Molecular Weight (g/mol): 199.55 MDL Number: MFCD00005808 InChI Key: IGHBXJSNZCFXNK-UHFFFAOYSA-N Synonym: 4-chloro-7-nitrobenzofurazan,nbd chloride,4-chloro-7-nitrobenzo-2-oxa-1,3-diazole,nbd-cl,7-chloro-4-nitrobenzofurazan,2,1,3-benzoxadiazole, 4-chloro-7-nitro,nbd-chloride,nbd-c 1,1-chloro-4-nitrobenzoxadiazole,4-nitro-7-chlorobenzofurazan PubChem CID: 25043 ChEBI: CHEBI:78878 IUPAC Name: 4-chloro-7-nitro-2,1,3-benzoxadiazole SMILES: C1=C(C2=NON=C2C(=C1)Cl)[N+](=O)[O-]
| PubChem CID | 25043 |
|---|---|
| CAS | 10199-89-0 |
| Molecular Weight (g/mol) | 199.55 |
| ChEBI | CHEBI:78878 |
| MDL Number | MFCD00005808 |
| SMILES | C1=C(C2=NON=C2C(=C1)Cl)[N+](=O)[O-] |
| Synonym | 4-chloro-7-nitrobenzofurazan,nbd chloride,4-chloro-7-nitrobenzo-2-oxa-1,3-diazole,nbd-cl,7-chloro-4-nitrobenzofurazan,2,1,3-benzoxadiazole, 4-chloro-7-nitro,nbd-chloride,nbd-c 1,1-chloro-4-nitrobenzoxadiazole,4-nitro-7-chlorobenzofurazan |
| IUPAC Name | 4-chloro-7-nitro-2,1,3-benzoxadiazole |
| InChI Key | IGHBXJSNZCFXNK-UHFFFAOYSA-N |
| Molecular Formula | C6H2ClN3O3 |
Wortmannin, 98%
CAS: 19545-26-7 Molecular Formula: C23H24O8 Molecular Weight (g/mol): 428.44 MDL Number: MFCD00133927 InChI Key: QDLHCMPXEPAAMD-QAIWCSMKSA-N Synonym: wortmannin,wartmannin,antibiotic sl-2052,unii-xva4o219qw,xva4o219qw,pi 3-kinase inhibitor,1alpha,11alpha-11-acetyloxy-1-methoxymethyl-2-oxaandrosta-5,8-dieno 6,5,4-bc furan-3,7,17-trione,1r,3r,5s,9r,18s-18-methoxymethyl-1,5-dimethyl-6,11,16-trioxo-13,17-dioxapentacyclo 10.6.1.0^ 2,10 .0^ 5,9 .0^ 15,19 nonadeca-2 10 ,12 19 ,14-trien-3-yl acetate,1s,6br,9as,11r,11br-9a,11b-dimethyl-1-methyloxy methyl-3,6,9-trioxo-1,6,6b,7,8,9,9a,10,11,11b-decahydro-3h-furo 4,3,2-de indeno 4,5-h isochromen-11-yl acetate,wortmanin PubChem CID: 312145 ChEBI: CHEBI:52289 IUPAC Name: (1R,3R,5S,9R,18S)-18-(methoxymethyl)-1,5-dimethyl-6,11,16-trioxo-13,17-dioxapentacyclo[10.6.1.0²,¹⁰.0⁵,⁹.0¹⁵,¹⁹]nonadeca-2(10),12(19),14-trien-3-yl acetate SMILES: COC[C@H]1OC(=O)C2=COC3=C2[C@@]1(C)C1=C([C@@H]2CCC(=O)[C@@]2(C)C[C@H]1OC(C)=O)C3=O
| PubChem CID | 312145 |
|---|---|
| CAS | 19545-26-7 |
| Molecular Weight (g/mol) | 428.44 |
| ChEBI | CHEBI:52289 |
| MDL Number | MFCD00133927 |
| SMILES | COC[C@H]1OC(=O)C2=COC3=C2[C@@]1(C)C1=C([C@@H]2CCC(=O)[C@@]2(C)C[C@H]1OC(C)=O)C3=O |
| Synonym | wortmannin,wartmannin,antibiotic sl-2052,unii-xva4o219qw,xva4o219qw,pi 3-kinase inhibitor,1alpha,11alpha-11-acetyloxy-1-methoxymethyl-2-oxaandrosta-5,8-dieno 6,5,4-bc furan-3,7,17-trione,1r,3r,5s,9r,18s-18-methoxymethyl-1,5-dimethyl-6,11,16-trioxo-13,17-dioxapentacyclo 10.6.1.0^ 2,10 .0^ 5,9 .0^ 15,19 nonadeca-2 10 ,12 19 ,14-trien-3-yl acetate,1s,6br,9as,11r,11br-9a,11b-dimethyl-1-methyloxy methyl-3,6,9-trioxo-1,6,6b,7,8,9,9a,10,11,11b-decahydro-3h-furo 4,3,2-de indeno 4,5-h isochromen-11-yl acetate,wortmanin |
| IUPAC Name | (1R,3R,5S,9R,18S)-18-(methoxymethyl)-1,5-dimethyl-6,11,16-trioxo-13,17-dioxapentacyclo[10.6.1.0²,¹⁰.0⁵,⁹.0¹⁵,¹⁹]nonadeca-2(10),12(19),14-trien-3-yl acetate |
| InChI Key | QDLHCMPXEPAAMD-QAIWCSMKSA-N |
| Molecular Formula | C23H24O8 |