Tolvaptan, (S)-

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C26H25ClN2O3
Molecular Weight	448.941
Optical Activity	( - )
Defined Stereocenters	1 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CC1=CC=CC=C1C(=O)NC2=CC=C(C(=O)N3CCC[C@H](O)C4=CC(Cl)=CC=C34)C(C)=C2

InChI

InChIKey=GYHCTFXIZSNGJT-DEOSSOPVSA-N

InChI=1S/C26H25ClN2O3/c1-16-6-3-4-7-20(16)25(31)28-19-10-11-21(17(2)14-19)26(32)29-13-5-8-24(30)22-15-18(27)9-12-23(22)29/h3-4,6-7,9-12,14-15,24,30H,5,8,13H2,1-2H3,(H,28,31)/t24-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C26H25ClN2O3
Molecular Weight	448.941
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	1 / 1
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Mon Mar 31 23:20:21 GMT 2025` Edited by `admin` on `Mon Mar 31 23:20:21 GMT 2025`
Record UNII	08S1L9V25X
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Benzamide, N-[4-[[(5S)-7-chloro-2,3,4,5-tetrahydro-5-hydroxy-1H-1-benzazepin-1-yl]carbonyl]-3-methylphenyl]-2-methyl-

Preferred Name

English

Tolvaptan, (S)-

Common Name

English

N-[4-[[(5S)-7-Chloro-2,3,4,5-tetrahydro-5-hydroxy-1H-1-benzazepin-1-yl]carbonyl]-3-methylphenyl]-2-methylbenzamide

Systematic Name

English

(S)-(-)-OPC-41061

Code

English

Code System Code Type Description

FDA UNII

08S1L9V25X

Created by admin on Mon Mar 31 23:20:22 GMT 2025 , Edited by admin on Mon Mar 31 23:20:22 GMT 2025

PRIMARY

CAS

331947-44-5

Created by admin on Mon Mar 31 23:20:22 GMT 2025 , Edited by admin on Mon Mar 31 23:20:22 GMT 2025

PRIMARY

PUBCHEM

10789661

Created by admin on Mon Mar 31 23:20:22 GMT 2025 , Edited by admin on Mon Mar 31 23:20:22 GMT 2025

PRIMARY

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