DM-4128

Details

Stereochemistry	RACEMIC
Molecular Formula	C18H19ClN2O2
Molecular Weight	330.809
Optical Activity	( + / - )
Defined Stereocenters	0 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CC1=CC(N)=CC=C1C(=O)N2CCCC(O)C3=CC(Cl)=CC=C23

InChI

InChIKey=XVFPODYXXNMTEB-UHFFFAOYSA-N

InChI=1S/C18H19ClN2O2/c1-11-9-13(20)5-6-14(11)18(23)21-8-2-3-17(22)15-10-12(19)4-7-16(15)21/h4-7,9-10,17,22H,2-3,8,20H2,1H3

HIDE SMILES / InChI

Molecular Formula	C18H19ClN2O2
Molecular Weight	330.809
Charge	0
Count

Stereochemistry	RACEMIC
Additional Stereochemistry	No
Defined Stereocenters	0 / 1
E/Z Centers	0
Optical Activity	( + / - )

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 05:03:33 GMT 2025` Edited by `admin` on `Wed Apr 02 05:03:33 GMT 2025`
Record UNII	4U854V7PAG
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

DM4128

Preferred Name

English

DM-4128

Code

English

Methanone, (4-amino-2-methylphenyl)(7-chloro-2,3,4,5-tetrahydro-5-hydroxy-1H-1-benzazepin-1-yl)-

Systematic Name

English

(4-Amino-2-methylphenyl)(7-chloro-2,3,4,5-tetrahydro-5-hydroxy-1H-1-benzazepin-1-yl)methanone

Systematic Name

English

Tolvaptan metabolite DM-4128

Common Name

English

1-(2-Methyl-4-aminobenzoyl)-7-chloro-1,2,3,4-tetrahydrobenzo[b]azepin-5-ol

Systematic Name

English

Code System Code Type Description

CAS

1432725-24-0

Created by admin on Wed Apr 02 05:03:33 GMT 2025 , Edited by admin on Wed Apr 02 05:03:33 GMT 2025

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FDA UNII

4U854V7PAG

Created by admin on Wed Apr 02 05:03:33 GMT 2025 , Edited by admin on Wed Apr 02 05:03:33 GMT 2025

PRIMARY

PUBCHEM

145722617

Created by admin on Wed Apr 02 05:03:33 GMT 2025 , Edited by admin on Wed Apr 02 05:03:33 GMT 2025

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Related Record Type Details


					21G72T1950

Tolvaptan

PARENT -> METABOLITE

Qualification:

MICROSOMAL; PLASMA; URINE

Amount: