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Macrolactams

Organic compounds that are macrocyclic amides that are the nitrogen analogs of lactones (cyclic carboxylic esters); macrocycles have closed rings of more than about twelve atoms.

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1

Rifabutin, 98%, Thermo Scientific Chemicals

CAS: 72559-06-9 Molecular Formula: C46H62N4O11 Molecular Weight (g/mol): 847.02 MDL Number: MFCD00866816 InChI Key: ATEBXHFBFRCZMA-VXTBVIBXSA-N Synonym: rifabutin,ansamycin,rifabutine,mycobutin,ansatipine,ansatipin,alfacid,rifabutina,rifabutinum,antibiotic lm 427 PubChem CID: 57448257 IUPAC Name: (7S,9E,11S,12R,13S,14R,15R,16R,17S,18S,19E,21Z)-2,15,17-trihydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-1'-(2-methylpropyl)-6,23,32-trioxo-8,33-dioxa-24,27,29-triazaspiro[pentacyclo[23.6.1.1⁴,⁷.0⁵,³¹.0²⁶,³⁰]tritriacontane-28,4'-piperidin]-1,3,5(31),9,19,21,25,29-octaen-13-yl acetate SMILES: CO[C@H]1\C=C\O[C@@]2(C)OC3=C(C)C(O)=C4C(=O)C(NC(=O)\C(C)=C/C=C/[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C)=C1NC5(CCN(CC(C)C)CC5)N=C1C4=C3C2=O

PubChem CID 57448257
CAS 72559-06-9
Molecular Weight (g/mol) 847.02
MDL Number MFCD00866816
SMILES CO[C@H]1\C=C\O[C@@]2(C)OC3=C(C)C(O)=C4C(=O)C(NC(=O)\C(C)=C/C=C/[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C)=C1NC5(CCN(CC(C)C)CC5)N=C1C4=C3C2=O
Synonym rifabutin,ansamycin,rifabutine,mycobutin,ansatipine,ansatipin,alfacid,rifabutina,rifabutinum,antibiotic lm 427
IUPAC Name (7S,9E,11S,12R,13S,14R,15R,16R,17S,18S,19E,21Z)-2,15,17-trihydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-1'-(2-methylpropyl)-6,23,32-trioxo-8,33-dioxa-24,27,29-triazaspiro[pentacyclo[23.6.1.1⁴,⁷.0⁵,³¹.0²⁶,³⁰]tritriacontane-28,4'-piperidin]-1,3,5(31),9,19,21,25,29-octaen-13-yl acetate
InChI Key ATEBXHFBFRCZMA-VXTBVIBXSA-N
Molecular Formula C46H62N4O11
2

Mertansine, TRC

CAS: 139504-50-0 Molecular Formula: C35H48ClN3O10S Molecular Weight (g/mol): 738.29 Synonym: N2'-Deacetyl-N2'-(3-mercapto-1-oxopropyl)-maytansine,DM 1,Maytansinoid DM 1,N2'-Deacetyl-N2'-(3-mercapto-1-oxopropyl)maytansine SMILES: O=C(C[C@H](OC([C@H](C)N(C)C(CCS)=O)=O)[C@@]([C@H]1[C@@H]2C)(O1)C)N(C)C3=CC(C/C(C)=C/C=C/[C@@H](OC)[C@]4(O)NC(O[C@H]2C4)=O)=CC(OC)=C3Cl

CAS 139504-50-0
Molecular Weight (g/mol) 738.29
SMILES O=C(C[C@H](OC([C@H](C)N(C)C(CCS)=O)=O)[C@@]([C@H]1[C@@H]2C)(O1)C)N(C)C3=CC(C/C(C)=C/C=C/[C@@H](OC)[C@]4(O)NC(O[C@H]2C4)=O)=CC(OC)=C3Cl
Synonym N2'-Deacetyl-N2'-(3-mercapto-1-oxopropyl)-maytansine,DM 1,Maytansinoid DM 1,N2'-Deacetyl-N2'-(3-mercapto-1-oxopropyl)maytansine
Molecular Formula C35H48ClN3O10S
3

3-(Isonicotinoylhydrazonomethyl) Rifamycin, TRC

CAS: 13292-53-0 Molecular Formula: C44 H52 N4 O13 Molecular Weight (g/mol): 844.9 Synonym: 3-Formylrifamycin Isonicotinylhydrazone SMILES: CO[C@H]1\C=C\O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(NC(=O)\C(=C/C=C/[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(=O)C)[C@@H]1C)\C)c(\C=N\NC(=O)c5ccncc5)c(O)c4c3C2=O

CAS 13292-53-0
Molecular Weight (g/mol) 844.9
SMILES CO[C@H]1\C=C\O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(NC(=O)\C(=C/C=C/[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(=O)C)[C@@H]1C)\C)c(\C=N\NC(=O)c5ccncc5)c(O)c4c3C2=O
Synonym 3-Formylrifamycin Isonicotinylhydrazone
Molecular Formula C44 H52 N4 O13
4

3-Aminorifamycin S (Technical Grade), TRC

CAS: 51756-80-0 Molecular Formula: C37H46N2O12 Molecular Weight (g/mol): 710.77 Synonym: 3-Amino-1,4-dideoxy-1,4-dihydro-1,4-dioxorifamycin; IUPAC Name: [(7S,9E,11S,12R,13S,14R,15R,16R,17S,18S,19E,21Z)-26-amino-2,15,17-trihydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-6,23,27,29-tetraoxo-8,30-dioxa-24-azatetracyclo[23.3.1.14,7.05,28]triaconta-1(28),2,4,9,19,21,25-heptaen-13-yl] acetate SMILES: CO[C@H]1\C=C\O[C@@]2(C)Oc3c(C)c(O)c4C(=O)C(=C(N)C(=O)c4c3C2=O)NC(=O)\C(=C/C=C/[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(=O)C)[C@@H]1C)\C

CAS 51756-80-0
Molecular Weight (g/mol) 710.77
SMILES CO[C@H]1\C=C\O[C@@]2(C)Oc3c(C)c(O)c4C(=O)C(=C(N)C(=O)c4c3C2=O)NC(=O)\C(=C/C=C/[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(=O)C)[C@@H]1C)\C
Synonym 3-Amino-1,4-dideoxy-1,4-dihydro-1,4-dioxorifamycin;
IUPAC Name [(7S,9E,11S,12R,13S,14R,15R,16R,17S,18S,19E,21Z)-26-amino-2,15,17-trihydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-6,23,27,29-tetraoxo-8,30-dioxa-24-azatetracyclo[23.3.1.14,7.05,28]triaconta-1(28),2,4,9,19,21,25-heptaen-13-yl] acetate
Molecular Formula C37H46N2O12
5

N-Demethyl Rifampicin, TRC

CAS: 13292-45-0 Molecular Formula: C42 H56 N4 O12 Molecular Weight (g/mol): 808.91 Synonym: N-Demethylrifampicin,Rifamycin, 3-[(1-piperazinylimino)methyl]-,2,7-(Epoxypentadeca[1,11,13]trienimino)naphtho[2,1-b]furan-1,11(2H)-dione, 5,6,9,17,19,21-hexahydroxy-23-methoxy-2,4,12,16,18,20,22-heptamethyl-8-(N-1-piperazinylformimidoyl)-, 21-acetate (7CI,8CI),2,7-(Epoxypentadeca[1,11,13]trienimino)naphtho[2,1-b]furan, rifamycin deriv.,3-[(1-Piperazinylimino)methyl]rifamycin,3-Piperazinoiminomethyl rifamycin SV,4-N-Demethylrifampicin,AF/AP,Demethylrifampicin,N-Demethyl rifampicin,N-Desmethylrifampicin,N-Demethylrifampin,NSC 143416,Rifampicin AF/AP SMILES: CO[C@H]1\C=C\O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(NC(=O)\C(=C/C=C/[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(=O)C)[C@@H]1C)\C)c(\C=N\N5CCNCC5)c(O)c4c3C2=O

CAS 13292-45-0
Molecular Weight (g/mol) 808.91
SMILES CO[C@H]1\C=C\O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(NC(=O)\C(=C/C=C/[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(=O)C)[C@@H]1C)\C)c(\C=N\N5CCNCC5)c(O)c4c3C2=O
Synonym N-Demethylrifampicin,Rifamycin, 3-[(1-piperazinylimino)methyl]-,2,7-(Epoxypentadeca[1,11,13]trienimino)naphtho[2,1-b]furan-1,11(2H)-dione, 5,6,9,17,19,21-hexahydroxy-23-methoxy-2,4,12,16,18,20,22-heptamethyl-8-(N-1-piperazinylformimidoyl)-, 21-acetate (7CI,8CI),2,7-(Epoxypentadeca[1,11,13]trienimino)naphtho[2,1-b]furan, rifamycin deriv.,3-[(1-Piperazinylimino)methyl]rifamycin,3-Piperazinoiminomethyl rifamycin SV,4-N-Demethylrifampicin,AF/AP,Demethylrifampicin,N-Demethyl rifampicin,N-Desmethylrifampicin,N-Demethylrifampin,NSC 143416,Rifampicin AF/AP
Molecular Formula C42 H56 N4 O12