DM-4107

Details

Stereochemistry	RACEMIC
Molecular Formula	C26H25ClN2O5
Molecular Weight	480.94
Optical Activity	( + / - )
Defined Stereocenters	0 / 1
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)CCC(O)=O)C(C)=C2

InChI

InChIKey=AJMZAIPORREFDJ-UHFFFAOYSA-N

InChI=1S/C26H25ClN2O5/c1-15-5-3-4-6-19(15)25(33)28-18-8-9-20(16(2)13-18)26(34)29-22-10-7-17(27)14-21(22)23(30)11-12-24(31)32/h3-10,13-14,23,30H,11-12H2,1-2H3,(H,28,33)(H,29,34)(H,31,32)

HIDE SMILES / InChI

Molecular Formula	C26H25ClN2O5
Molecular Weight	480.94
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 11:37:09 GMT 2023` Edited by `admin` on `Sat Dec 16 11:37:09 GMT 2023`
Record UNII	UD18G27VSS
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

DM-4107

Code

English

TOLVAPTAN METABOLITE DM-4107

Common Name

English

5-CHLORO-.GAMMA.-HYDROXY-2-((2-METHYL-4-((2-METHYLBENZOYL)AMINO)BENZOYL)AMINO)BENZENEBUTANOIC ACID

Systematic Name

English

BENZENEBUTANOIC ACID, 5-CHLORO-.GAMMA.-HYDROXY-2-((2-METHYL-4-((2-METHYLBENZOYL)AMINO)BENZOYL)AMINO)-

Systematic Name

English

Code System Code Type Description

PUBCHEM

71752622

Created by admin on Sat Dec 16 11:37:09 GMT 2023 , Edited by admin on Sat Dec 16 11:37:09 GMT 2023

PRIMARY

FDA UNII

UD18G27VSS

Created by admin on Sat Dec 16 11:37:09 GMT 2023 , Edited by admin on Sat Dec 16 11:37:09 GMT 2023

PRIMARY

CAS

1346599-75-4

Created by admin on Sat Dec 16 11:37:09 GMT 2023 , Edited by admin on Sat Dec 16 11:37:09 GMT 2023

PRIMARY

Related Record Type Details


					21G72T1950

TOLVAPTAN

PARENT -> METABOLITE INACTIVE

Interaction Type:

MAJOR

Qualification:

FECAL; MICROSOMAL; PLASMA; URINE