TOLVAPTAN, (R)-

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C26H25ClN2O3
Molecular Weight	448.941
Optical Activity	UNSPECIFIED
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(C=C2)C(=O)N3CCC[C@@H](O)C4=C3C=CC(Cl)=C4

InChI

InChIKey=GYHCTFXIZSNGJT-XMMPIXPASA-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-/m1/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

Description

All pharmacological information is related to the racemic mixture, tolvaptan.

Approval Year

Conditions

Condition	Modality	Targets	Highest Phase	Product
Unknown 2578

Sample Use Guides

In Vivo Use Guide

Unknown

Route of Administration: Unknown

In Vitro Use Guide

Unknown

Substance Class	Chemical Created by `admin` on `Sat Dec 16 10:36:16 GMT 2023` Edited by `admin` on `Sat Dec 16 10:36:16 GMT 2023`
Record UNII	1E2497LPNY
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

TOLVAPTAN, (R)-

Common Name

English

(R)-(+)-OPC-41061

Common Name

English

BENZAMIDE, N-(4-(((5R)-7-CHLORO-2,3,4,5-TETRAHYDRO-5-HYDROXY-1H-1-BENZAZEPIN-1-YL)CARBONYL)-3-METHYLPHENYL)-2-METHYL-

Systematic Name

English

Code System Code Type Description

EPA CompTox

DTXSID00332136

Created by admin on Sat Dec 16 10:36:17 GMT 2023 , Edited by admin on Sat Dec 16 10:36:17 GMT 2023

PRIMARY

FDA UNII

1E2497LPNY

Created by admin on Sat Dec 16 10:36:17 GMT 2023 , Edited by admin on Sat Dec 16 10:36:17 GMT 2023

PRIMARY

PUBCHEM

443894

Created by admin on Sat Dec 16 10:36:17 GMT 2023 , Edited by admin on Sat Dec 16 10:36:17 GMT 2023

PRIMARY

CAS

331947-66-1

Created by admin on Sat Dec 16 10:36:17 GMT 2023 , Edited by admin on Sat Dec 16 10:36:17 GMT 2023

PRIMARY

Related Record Type Details


					21G72T1950

TOLVAPTAN

RACEMATE -> ENANTIOMER