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Dibenzocycloheptenes

Tricyclic organic compounds that consist of two benzene rings bound to a cycloheptene group; cycloheptene is a seven-carbon ring. These compounds are also known as dibenzosuberanes.

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1

Cyproheptadine Hydrochloride Sesquihydrate, TRC

CAS: 41354-29-4 Molecular Formula: 2 C21 H21 N . 2 Cl H . 3 H2 O Molecular Weight (g/mol): 701.76 Synonym: Cyproheptadine Hydrochloride Sesquihydrate,Piperidine, 4-(5H-dibenzo[a,d]cyclohepten-5-ylidene)-1-methyl-, hydrochloride, hydrate (2:3) (9CI) IUPAC Name: 4-(dibenzo[1,2-a:2',1'-d][7]annulen-11-ylidene)-1-methylpiperidine;trihydrate;dihydrochloride SMILES: O.O.O.Cl.Cl.CN1CCC(=C2c3ccccc3C=Cc4ccccc24)CC1.CN5CCC(=C6c7ccccc7C=Cc8ccccc68)CC5

CAS 41354-29-4
Molecular Weight (g/mol) 701.76
SMILES O.O.O.Cl.Cl.CN1CCC(=C2c3ccccc3C=Cc4ccccc24)CC1.CN5CCC(=C6c7ccccc7C=Cc8ccccc68)CC5
Synonym Cyproheptadine Hydrochloride Sesquihydrate,Piperidine, 4-(5H-dibenzo[a,d]cyclohepten-5-ylidene)-1-methyl-, hydrochloride, hydrate (2:3) (9CI)
IUPAC Name 4-(dibenzo[1,2-a:2',1'-d][7]annulen-11-ylidene)-1-methylpiperidine;trihydrate;dihydrochloride
Molecular Formula 2 C21 H21 N . 2 Cl H . 3 H2 O
2

Nortriptyline Hydrochloride, MP Biomedicals™

CAS: 894-71-3 Molecular Formula: C19H22ClN Molecular Weight (g/mol): 299.84 MDL Number: MFCD00058024 InChI Key: SHAYBENGXDALFF-UHFFFAOYSA-N Synonym: nortriptyline hydrochloride,pamelor,allegron,altilev,nortrilen,desmethylamitriptyline hydrochloride,acetexa,psychostyl,sensival,vividyl PubChem CID: 441358 IUPAC Name: hydrogen methyl(3-{tricyclo[9.4.0.0³,⁸]pentadeca-1(15),3,5,7,11,13-hexaen-2-ylidene}propyl)amine chloride SMILES: [H+].[Cl-].CNCCC=C1C2=CC=CC=C2CCC2=CC=CC=C12

PubChem CID 441358
CAS 894-71-3
Molecular Weight (g/mol) 299.84
MDL Number MFCD00058024
SMILES [H+].[Cl-].CNCCC=C1C2=CC=CC=C2CCC2=CC=CC=C12
Synonym nortriptyline hydrochloride,pamelor,allegron,altilev,nortrilen,desmethylamitriptyline hydrochloride,acetexa,psychostyl,sensival,vividyl
IUPAC Name hydrogen methyl(3-{tricyclo[9.4.0.0³,⁸]pentadeca-1(15),3,5,7,11,13-hexaen-2-ylidene}propyl)amine chloride
InChI Key SHAYBENGXDALFF-UHFFFAOYSA-N
Molecular Formula C19H22ClN
3

Dibenzosuberone, 97%

CAS: 1210-35-1 Molecular Formula: C15H12O Molecular Weight (g/mol): 208.26 MDL Number: MFCD00003587 InChI Key: BMVWCPGVLSILMU-UHFFFAOYSA-N Synonym: dibenzosuberone,dibenzocycloheptenone,dibenzosuberan-5-one,dibenzsuberone,5-dibenzosuberone,2,3:6,7-dibenzosuberone,5h-dibenzo a,d cyclohepten-5-one, 10,11-dihydro,unii-8etk71th0h,dibenzo b,f cycloheptan-1-one,ccris 2780 PubChem CID: 14589 SMILES: O=C1C2=CC=CC=C2CCC2=CC=CC=C12

PubChem CID 14589
CAS 1210-35-1
Molecular Weight (g/mol) 208.26
MDL Number MFCD00003587
SMILES O=C1C2=CC=CC=C2CCC2=CC=CC=C12
Synonym dibenzosuberone,dibenzocycloheptenone,dibenzosuberan-5-one,dibenzsuberone,5-dibenzosuberone,2,3:6,7-dibenzosuberone,5h-dibenzo a,d cyclohepten-5-one, 10,11-dihydro,unii-8etk71th0h,dibenzo b,f cycloheptan-1-one,ccris 2780
InChI Key BMVWCPGVLSILMU-UHFFFAOYSA-N
Molecular Formula C15H12O
4

(+)-MK 801 Hydrogen Maleate, TRC

CAS: 77086-22-7 Molecular Formula: C16 H15 N . C4 H4 O4 Molecular Weight (g/mol): 337.37 Synonym: (5S)-10,11-Dihydro-5-methyl-5H-dibenzo[a,d]cyclohepten-5,10-imine, (2Z)-2-butenedioate (1:1),(5S)-10,11-Dihydro-5-methyl-5H-dibenzo[a,d]cyclohepten-5,10-imine (Z)-2-Butenedioate (1:1),Dizocilpine Hydrogen Maleate,Dizocilpine Maleate SMILES: C[C@]12N[C@H](Cc3ccccc13)c4ccccc24.OC(=O)\C=C/C(=O)O

CAS 77086-22-7
Molecular Weight (g/mol) 337.37
SMILES C[C@]12N[C@H](Cc3ccccc13)c4ccccc24.OC(=O)\C=C/C(=O)O
Synonym (5S)-10,11-Dihydro-5-methyl-5H-dibenzo[a,d]cyclohepten-5,10-imine, (2Z)-2-butenedioate (1:1),(5S)-10,11-Dihydro-5-methyl-5H-dibenzo[a,d]cyclohepten-5,10-imine (Z)-2-Butenedioate (1:1),Dizocilpine Hydrogen Maleate,Dizocilpine Maleate
Molecular Formula C16 H15 N . C4 H4 O4
5

5H-Dibenzo[a,d]cycloheptene, TRC

CAS: 256-81-5 Molecular Formula: C15 H12 Molecular Weight (g/mol): 192.26 Synonym: 5H-Dibenzo[a,d][7]annulene,Cyproheptadine Hydrochloride Imp. A (EP),Dibenzocycloheptene IUPAC Name: 11H-dibenzo[1,2-b:2',1'-e][7]annulene SMILES: C1c2ccccc2C=Cc3ccccc13

CAS 256-81-5
Molecular Weight (g/mol) 192.26
SMILES C1c2ccccc2C=Cc3ccccc13
Synonym 5H-Dibenzo[a,d][7]annulene,Cyproheptadine Hydrochloride Imp. A (EP),Dibenzocycloheptene
IUPAC Name 11H-dibenzo[1,2-b:2',1'-e][7]annulene
Molecular Formula C15 H12
6

Dibenzosuberone, TRC

CAS: 1210-35-1 Molecular Formula: C15 H12 O Molecular Weight (g/mol): 208.26 Synonym: 10,11-Dihydro-5H-dibenzo[a,d][7]annulen-5-one,Cyproheptadine Hydrochloride Imp. B (EP),Nortriptyline Hydrochloride Imp. A (EP),Amitriptyline Hydrochloride Imp. A (EP),Dibenzosuberone IUPAC Name: 5,6-dihydrodibenzo[2,1-b:1',2'-e][7]annulen-11-one SMILES: O=C1c2ccccc2CCc3ccccc13

CAS 1210-35-1
Molecular Weight (g/mol) 208.26
SMILES O=C1c2ccccc2CCc3ccccc13
Synonym 10,11-Dihydro-5H-dibenzo[a,d][7]annulen-5-one,Cyproheptadine Hydrochloride Imp. B (EP),Nortriptyline Hydrochloride Imp. A (EP),Amitriptyline Hydrochloride Imp. A (EP),Dibenzosuberone
IUPAC Name 5,6-dihydrodibenzo[2,1-b:1',2'-e][7]annulen-11-one
Molecular Formula C15 H12 O
7

Desmethylnortriptyline, TRC

CAS: 4444-42-2 Molecular Formula: C18H19N Molecular Weight (g/mol): 249.35 Synonym: 3-(10,11-Dihydro-5H-dibenzo[a,d]cyclohepten-5-ylidene)-1-propanamine,10,11-Dihydro-5H-dibenzo[a,d]cycloheptene-Δ5,γ-propylamine,Demethylnortriptyline,Didesmethylamitriptyline,Lu 5-079,N,N-Didemethylamitriptyline SMILES: NCC/C=C1C2=CC=CC=C2CCC3=C/1C=CC=C3

CAS 4444-42-2
Molecular Weight (g/mol) 249.35
SMILES NCC/C=C1C2=CC=CC=C2CCC3=C/1C=CC=C3
Synonym 3-(10,11-Dihydro-5H-dibenzo[a,d]cyclohepten-5-ylidene)-1-propanamine,10,11-Dihydro-5H-dibenzo[a,d]cycloheptene-Δ5,γ-propylamine,Demethylnortriptyline,Didesmethylamitriptyline,Lu 5-079,N,N-Didemethylamitriptyline
Molecular Formula C18H19N
8

5-Hydroxy-N-methylprotriptyline, TRC

CAS: 18029-54-4 Molecular Formula: C20 H23 N O Molecular Weight (g/mol): 293.4 Synonym: 5H-Dibenzo[a,d]cyclohepten-5-ol, 5-[3-(dimethylamino)propyl]- IUPAC Name: 11-[3-(dimethylamino)propyl]dibenzo[2,1-b:1',2'-e][7]annulen-11-ol SMILES: CN(C)CCCC1(O)c2ccccc2C=Cc3ccccc13

CAS 18029-54-4
Molecular Weight (g/mol) 293.4
SMILES CN(C)CCCC1(O)c2ccccc2C=Cc3ccccc13
Synonym 5H-Dibenzo[a,d]cyclohepten-5-ol, 5-[3-(dimethylamino)propyl]-
IUPAC Name 11-[3-(dimethylamino)propyl]dibenzo[2,1-b:1',2'-e][7]annulen-11-ol
Molecular Formula C20 H23 N O
9

Cyproheptadine N-Oxide, TRC

CAS: 100295-63-4 Molecular Formula: C21 H21 N O Molecular Weight (g/mol): 303.4 Synonym: 4-(5H-Dibenzo[a,d]cyclohepten-5-ylidene)-1-methyl-piperidine 1-Oxide,Cyprohepatadine N-Oxide IUPAC Name: 4-(dibenzo[1,2-a:2',1'-d][7]annulen-11-ylidene)-1-methyl-1-oxidopiperidin-1-ium SMILES: C[N+]1([O-])CCC(=C2c3ccccc3C=Cc4ccccc24)CC1

CAS 100295-63-4
Molecular Weight (g/mol) 303.4
SMILES C[N+]1([O-])CCC(=C2c3ccccc3C=Cc4ccccc24)CC1
Synonym 4-(5H-Dibenzo[a,d]cyclohepten-5-ylidene)-1-methyl-piperidine 1-Oxide,Cyprohepatadine N-Oxide
IUPAC Name 4-(dibenzo[1,2-a:2',1'-d][7]annulen-11-ylidene)-1-methyl-1-oxidopiperidin-1-ium
Molecular Formula C21 H21 N O
10

10-Hydroxy Nortriptyline Maleate, TRC

CAS: 74853-74-0 Molecular Formula: C23H25NO Molecular Weight (g/mol): 395.45 Synonym: (5E)-10,11-Dihydro-5-[3-(methylamino)propylidene]-5H-dibenzo[a,d]cyclohepten-10-ol (2Z)-2-Butenedioate,(E)-10-Hydroxynortriptyline Maleate,10-Hydroxy-(E)-nortriptyline Maleate,trans-10-Hydroxynortriptyline Maleate SMILES: CNCC/C=C/1\C2=CC=CC=C2CC(C3=CC=CC=C13)O.C(=C/C(=O)O)/C(=O)O

CAS 74853-74-0
Molecular Weight (g/mol) 395.45
SMILES CNCC/C=C/1\C2=CC=CC=C2CC(C3=CC=CC=C13)O.C(=C/C(=O)O)/C(=O)O
Synonym (5E)-10,11-Dihydro-5-[3-(methylamino)propylidene]-5H-dibenzo[a,d]cyclohepten-10-ol (2Z)-2-Butenedioate,(E)-10-Hydroxynortriptyline Maleate,10-Hydroxy-(E)-nortriptyline Maleate,trans-10-Hydroxynortriptyline Maleate
Molecular Formula C23H25NO
11

cis-10-Hydroxy Nortriptyline, TRC

CAS: 47132-19-4 Molecular Formula: C19 H21 N O Molecular Weight (g/mol): 279.38 Synonym: 5H-Dibenzo[a,d]cyclohepten-10-ol, 10,11-dihydro-5-[3-(methylamino)propylidene]-, (5Z)-5H-Dibenzo[a,d]cyclohepten-10-ol, 10,11-dihydro-5-[3-(methylamino)propylidene]-, (Z)-,10-Hydroxy-(Z)-nortriptyline,cis-10-Hydroxynortriptyline,(Z)-10-Hydroxynortriptyline IUPAC Name: (11Z)-11-[3-(methylamino)propylidene]-5,6-dihydrodibenzo[1,2-a:2',1'-d][7]annulen-5-ol SMILES: CNCC\C=C/1\c2ccccc2CC(O)c3ccccc13

CAS 47132-19-4
Molecular Weight (g/mol) 279.38
SMILES CNCC\C=C/1\c2ccccc2CC(O)c3ccccc13
Synonym 5H-Dibenzo[a,d]cyclohepten-10-ol, 10,11-dihydro-5-[3-(methylamino)propylidene]-, (5Z)-5H-Dibenzo[a,d]cyclohepten-10-ol, 10,11-dihydro-5-[3-(methylamino)propylidene]-, (Z)-,10-Hydroxy-(Z)-nortriptyline,cis-10-Hydroxynortriptyline,(Z)-10-Hydroxynortriptyline
IUPAC Name (11Z)-11-[3-(methylamino)propylidene]-5,6-dihydrodibenzo[1,2-a:2',1'-d][7]annulen-5-ol
Molecular Formula C19 H21 N O
12

5-[3-(Dimethylamino)propyl]-10,11-dihydro-5H-dibenzo[a,d]cyclohepten-5-ol, TRC

CAS: 1159-03-1 Molecular Formula: C20 H25 N O Molecular Weight (g/mol): 295.42 Synonym: 5-[3-(Dimethylamino)propyl]-10,11-dihydro-5H-dibenzo[a,d][7]annulen-5-ol,Nortriptyline Hydrochloride Imp. D (EP),Amitriptyline Hydrochloride Imp. D (EP) IUPAC Name: 11-[3-(dimethylamino)propyl]-5,6-dihydrodibenzo[2,1-b:1',2'-e][7]annulen-11-ol SMILES: CN(C)CCCC1(O)c2ccccc2CCc3ccccc13

CAS 1159-03-1
Molecular Weight (g/mol) 295.42
SMILES CN(C)CCCC1(O)c2ccccc2CCc3ccccc13
Synonym 5-[3-(Dimethylamino)propyl]-10,11-dihydro-5H-dibenzo[a,d][7]annulen-5-ol,Nortriptyline Hydrochloride Imp. D (EP),Amitriptyline Hydrochloride Imp. D (EP)
IUPAC Name 11-[3-(dimethylamino)propyl]-5,6-dihydrodibenzo[2,1-b:1',2'-e][7]annulen-11-ol
Molecular Formula C20 H25 N O
13

Cyclobenzaprine Hydrochloride, TRC

CAS: 6202-23-9 Molecular Formula: C20 H21 N . Cl H Molecular Weight (g/mol): 311.85 Synonym: Cyclobenzaprine Hydrochloride,3-(5H-Dibenzo[a,d][7]annulen-5-ylidene)-N,N-dimethylpropan-1-amine Hydrochloride,Nortriptyline Hydrochloride Imp. E (EP) as Hydrochloride,Amitriptyline Hydrochloride Imp. B (EP) as Hydrochloride,1-Propanamine, 3-(5H-dibenzo[a,d]cyclohepten-5-ylidene)-N,N-dimethyl-, hydrochloride (1:1),1-Propanamine, 3-(5H-dibenzo[a,d]cyclohepten-5-ylidene)-N,N-dimethyl-, hydrochloride (9CI),5H-Dibenzo[a,d]cycloheptene-δ5,γ-propylamine, N,N-dimethyl-, hydrochloride (6CI,7CI,8CI),10,11δ-Amitriptyline hydrochloride,Benzamin,Flexeril,Flexiban,Lisseril,MK 130 hydrochloride,Miosan,Multi-Relax,Proheptatriene hydrochloride,Tensodox,Yurelax IUPAC Name: 3-(dibenzo[2,1-b:1',2'-e][7]annulen-11-ylidene)-N,N-dimethylpropan-1-amine;hydrochloride SMILES: Cl.CN(C)CCC=C1c2ccccc2C=Cc3ccccc13

CAS 6202-23-9
Molecular Weight (g/mol) 311.85
SMILES Cl.CN(C)CCC=C1c2ccccc2C=Cc3ccccc13
Synonym Cyclobenzaprine Hydrochloride,3-(5H-Dibenzo[a,d][7]annulen-5-ylidene)-N,N-dimethylpropan-1-amine Hydrochloride,Nortriptyline Hydrochloride Imp. E (EP) as Hydrochloride,Amitriptyline Hydrochloride Imp. B (EP) as Hydrochloride,1-Propanamine, 3-(5H-dibenzo[a,d]cyclohepten-5-ylidene)-N,N-dimethyl-, hydrochloride (1:1),1-Propanamine, 3-(5H-dibenzo[a,d]cyclohepten-5-ylidene)-N,N-dimethyl-, hydrochloride (9CI),5H-Dibenzo[a,d]cycloheptene-δ5,γ-propylamine, N,N-dimethyl-, hydrochloride (6CI,7CI,8CI),10,11δ-Amitriptyline hydrochloride,Benzamin,Flexeril,Flexiban,Lisseril,MK 130 hydrochloride,Miosan,Multi-Relax,Proheptatriene hydrochloride,Tensodox,Yurelax
IUPAC Name 3-(dibenzo[2,1-b:1',2'-e][7]annulen-11-ylidene)-N,N-dimethylpropan-1-amine;hydrochloride
Molecular Formula C20 H21 N . Cl H
14

10-Hydroxy (E)-Amitriptyline, TRC

CAS: 64520-05-4 Molecular Formula: C20H23NO Molecular Weight (g/mol): 293.4 Synonym: (5E)-5-[3-(dimethylamino)propylidene]-10,11-dihydro-5H-dibenzo[a,d]cyclohepten-10-ol SMILES: CN(C)CC\C=C\1/c2ccccc2CC(O)c3ccccc13

CAS 64520-05-4
Molecular Weight (g/mol) 293.4
SMILES CN(C)CC\C=C\1/c2ccccc2CC(O)c3ccccc13
Synonym (5E)-5-[3-(dimethylamino)propylidene]-10,11-dihydro-5H-dibenzo[a,d]cyclohepten-10-ol
Molecular Formula C20H23NO
15

Amitriptyline Hydrochloride, TRC

CAS: 549-18-8 Molecular Formula: C20 H23 N . Cl H Molecular Weight (g/mol): 313.86 IUPAC Name: 3-(5,6-dihydrodibenzo[2,1-b:1',2'-e][7]annulen-11-ylidene)-N,N-dimethylpropan-1-amine;hydrochloride SMILES: Cl.CN(C)CCC=C1c2ccccc2CCc3ccccc13

CAS 549-18-8
Molecular Weight (g/mol) 313.86
SMILES Cl.CN(C)CCC=C1c2ccccc2CCc3ccccc13
IUPAC Name 3-(5,6-dihydrodibenzo[2,1-b:1',2'-e][7]annulen-11-ylidene)-N,N-dimethylpropan-1-amine;hydrochloride
Molecular Formula C20 H23 N . Cl H