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=C(C=CC(N)=C1)C(=O)N2CCCC(O)C3=C2C=CC(Cl)=C3

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 `Sat Dec 16 15:16:14 UTC 2023` Edited by `admin` on `Sat Dec 16 15:16:14 UTC 2023`
Record UNII	4U854V7PAG
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

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 Sat Dec 16 15:16:14 UTC 2023 , Edited by admin on Sat Dec 16 15:16:14 UTC 2023

PRIMARY

FDA UNII

4U854V7PAG

Created by admin on Sat Dec 16 15:16:14 UTC 2023 , Edited by admin on Sat Dec 16 15:16:14 UTC 2023

PRIMARY

PUBCHEM

145722617

Created by admin on Sat Dec 16 15:16:14 UTC 2023 , Edited by admin on Sat Dec 16 15:16:14 UTC 2023

PRIMARY

Related Record Type Details


					21G72T1950

TOLVAPTAN

PARENT -> METABOLITE

Qualification:

MICROSOMAL; PLASMA; URINE