DM-4110

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(C=C2)C(=O)N3CC[C@@H](O)[C@H](O)C4=C3C=CC(Cl)=C4

InChI

InChIKey=VAVCSBDSVJMVNG-DNQXCXABSA-N

InChI=1S/C26H25ClN2O4/c1-15-5-3-4-6-19(15)25(32)28-18-8-9-20(16(2)13-18)26(33)29-12-11-23(30)24(31)21-14-17(27)7-10-22(21)29/h3-10,13-14,23-24,30-31H,11-12H2,1-2H3,(H,28,32)/t23-,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 `Sat Dec 16 14:52:58 UTC 2023` Edited by `admin` on `Sat Dec 16 14:52:58 UTC 2023`
Record UNII	T0OH2NO4KZ
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

DM-4110

Common Name

English

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

Systematic Name

English

N-(4-(((4R,5R)-7-CHLORO-2,3,4,5-TETRAHYDRO-4,5-DIHYDROXY-1H-1-BENZAZEPIN-1-YL)CARBONYL)-3-METHYLPHENYL)-2-METHYLBENZAMIDE

Systematic Name

English

TOLVAPTAN METABOLITE DM-4110

Common Name

English

Code System Code Type Description

PUBCHEM

101425537

Created by admin on Sat Dec 16 14:52:58 UTC 2023 , Edited by admin on Sat Dec 16 14:52:58 UTC 2023

PRIMARY

FDA UNII

T0OH2NO4KZ

Created by admin on Sat Dec 16 14:52:58 UTC 2023 , Edited by admin on Sat Dec 16 14:52:58 UTC 2023

PRIMARY

CAS

926035-34-9

Created by admin on Sat Dec 16 14:52:58 UTC 2023 , Edited by admin on Sat Dec 16 14:52:58 UTC 2023

PRIMARY

Related Record Type Details


					21G72T1950

TOLVAPTAN

PARENT -> METABOLITE

Qualification:

FECAL; MICROSOMAL; PLASMA; URINE