DM-4119

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C26H25ClN2O4
Molecular Weight	464.941
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CC1=CC=CC=C1C(=O)NC2=CC=C(C(=O)N3C[C@H](O)C[C@H](O)C4=CC(Cl)=CC=C34)C(C)=C2

InChI

InChIKey=RWNXEGMZSKSKRQ-DVECYGJZSA-N

InChI=1S/C26H25ClN2O4/c1-15-5-3-4-6-20(15)25(32)28-18-8-9-21(16(2)11-18)26(33)29-14-19(30)13-24(31)22-12-17(27)7-10-23(22)29/h3-12,19,24,30-31H,13-14H2,1-2H3,(H,28,32)/t19-,24+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C26H25ClN2O4
Molecular Weight	464.941
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	2 / 2
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 01:40:47 GMT 2025` Edited by `admin` on `Wed Apr 02 01:40:47 GMT 2025`
Record UNII	T12CAH3NVK
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

DM-4119

Code

English

TOLVAPTAN METABOLITE DM-4119

Preferred Name

English

N-(4-((3R,5S)-7-CHLORO-3,5-DIHYDROXY-2,3,4,5-TETRAHYDRO-1-BENZAZEPINE-1-CARBONYL)-3-METHYL-PHENYL)-2-METHYL-BENZAMIDE

Systematic Name

English

Code System Code Type Description

FDA UNII

T12CAH3NVK

Created by admin on Wed Apr 02 01:40:47 GMT 2025 , Edited by admin on Wed Apr 02 01:40:47 GMT 2025

PRIMARY

PUBCHEM

139593404

Created by admin on Wed Apr 02 01:40:47 GMT 2025 , Edited by admin on Wed Apr 02 01:40:47 GMT 2025

PRIMARY

Related Record Type Details


					21G72T1950

Tolvaptan

PARENT -> METABOLITE

Qualification:

FECAL; MICROSOMAL; PLASMA; URINE