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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 of TOLVAPTAN, (R)-

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

Description

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

Approval Year

Conditions

Conditions

ConditionModalityTargetsHighest PhaseProduct

Sample Use Guides

In Vivo Use Guide
Unknown
Route of Administration: Unknown
In Vitro Use Guide
Unknown
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