DM-4105

Details

Stereochemistry	ACHIRAL
Molecular Formula	C26H25ClN2O4
Molecular Weight	464.941
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CC1=CC=CC=C1C(=O)NC2=CC=C(C(=O)NC3=CC=C(Cl)C=C3C(=O)CCCO)C(C)=C2

InChI

InChIKey=QWZRSISDUYQRCE-UHFFFAOYSA-N

InChI=1S/C26H25ClN2O4/c1-16-6-3-4-7-20(16)25(32)28-19-10-11-21(17(2)14-19)26(33)29-23-12-9-18(27)15-22(23)24(31)8-5-13-30/h3-4,6-7,9-12,14-15,30H,5,8,13H2,1-2H3,(H,28,32)(H,29,33)

HIDE SMILES / InChI

Molecular Formula	C26H25ClN2O4
Molecular Weight	464.941
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 15:15:24 UTC 2023` Edited by `admin` on `Sat Dec 16 15:15:24 UTC 2023`
Record UNII	H7N46Z14YN
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

DM-4105

Code

English

BENZAMIDE, N-(4-CHLORO-2-(4-HYDROXY-1-OXOBUTYL)PHENYL)-2-METHYL-4-((2-METHYLBENZOYL)AMINO)-

Systematic Name

English

TOLVAPTAN METABOLITE DM-4105

Common Name

English

N-(4-CHLORO-2-(4-HYDROXY-1-OXOBUTYL)PHENYL)-2-METHYL-4-((2-METHYLBENZOYL)AMINO)BENZAMIDE

Systematic Name

English

Code System Code Type Description

CAS

1587638-02-5

Created by admin on Sat Dec 16 15:15:25 UTC 2023 , Edited by admin on Sat Dec 16 15:15:25 UTC 2023

PRIMARY

FDA UNII

H7N46Z14YN

Created by admin on Sat Dec 16 15:15:25 UTC 2023 , Edited by admin on Sat Dec 16 15:15:25 UTC 2023

PRIMARY

PUBCHEM

139593432

Created by admin on Sat Dec 16 15:15:25 UTC 2023 , Edited by admin on Sat Dec 16 15:15:25 UTC 2023

PRIMARY

Related Record Type Details


					21G72T1950

TOLVAPTAN

PARENT -> METABOLITE

Qualification:

FECAL; MICROSOMAL; PLASMA; URINE