Butaclamol, (+)-

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C25H31NO
Molecular Weight	361.5197
Optical Activity	( + )
Defined Stereocenters	3 / 3
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CC(C)(C)[C@]1(O)CCN2C[C@H]3C4=CC=CC=C4CCC5=C3C(=CC=C5)[C@@H]2C1

InChI

InChIKey=ZZJYIKPMDIWRSN-HWBMXIPRSA-N

InChI=1S/C25H31NO/c1-24(2,3)25(27)13-14-26-16-21-19-9-5-4-7-17(19)11-12-18-8-6-10-20(23(18)21)22(26)15-25/h4-10,21-22,27H,11-16H2,1-3H3/t21-,22-,25-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C25H31NO
Molecular Weight	361.5197
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	3 / 3
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 16:51:38 GMT 2025` Edited by `admin` on `Wed Apr 02 16:51:38 GMT 2025`
Record UNII	W85H7VQ3L6
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Butaclamol, (+)-

Common Name

English

(+)-Butaclamol

Preferred Name

English

(3S,4aS,13bS)-3-(1,1-Dimethylethyl)-2,3,4,4a,8,9,13b,14-octahydro-1H-benzo[6,7]cyclohepta[1,2,3-de]pyrido[2,1-a]isoquinolin-3-ol

Systematic Name

English

1H-Benzo[6,7]cyclohepta[1,2,3-de]pyrido[2,1-a]isoquinolin-3-ol, 3-(1,1-dimethylethyl)-2,3,4,4a,8,9,13b,14-octahydro-, (3S,4aS,13bS)-

Systematic Name

English

d-Butaclamol

Common Name

English

Code System Code Type Description

EPA CompTox

DTXSID701317857

Created by admin on Wed Apr 02 16:51:38 GMT 2025 , Edited by admin on Wed Apr 02 16:51:38 GMT 2025

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PUBCHEM

37459

Created by admin on Wed Apr 02 16:51:38 GMT 2025 , Edited by admin on Wed Apr 02 16:51:38 GMT 2025

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FDA UNII

W85H7VQ3L6

Created by admin on Wed Apr 02 16:51:38 GMT 2025 , Edited by admin on Wed Apr 02 16:51:38 GMT 2025

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CAS

56245-67-1

Created by admin on Wed Apr 02 16:51:38 GMT 2025 , Edited by admin on Wed Apr 02 16:51:38 GMT 2025

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Related Record Type Details


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BUTACLAMOL

RACEMATE -> ENANTIOMER

Amount: