CVT-10216

Details

Stereochemistry	ACHIRAL
Molecular Formula	C24H19NO7S
Molecular Weight	465.475
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CS(=O)(=O)NC1=CC=C(C=C1)C2=COC3=CC(OCC4=CC(=CC=C4)C(O)=O)=CC=C3C2=O

InChI

InChIKey=YYOOFJZTRCPVFD-UHFFFAOYSA-N

InChI=1S/C24H19NO7S/c1-33(29,30)25-18-7-5-16(6-8-18)21-14-32-22-12-19(9-10-20(22)23(21)26)31-13-15-3-2-4-17(11-15)24(27)28/h2-12,14,25H,13H2,1H3,(H,27,28)

HIDE SMILES / InChI

Molecular Formula	C24H19NO7S
Molecular Weight	465.475
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

Targets

Primary Target	Pharmacology	Condition	Potency
Aldehyde dehydrogenase, mitochondrial 2 Target ID: P05091 Gene ID: 217.0 Gene Symbol: ALDH2 Target Organism: Homo sapiens (Human) Sources: https://www.ncbi.nlm.nih.gov/pubmed/19673742	Inhibitor 8297		29.0 nM [IC50]

PubMed

Title	Date	PubMed
Inhibition of aldehyde dehydrogenase-2 suppresses cocaine seeking by generating THP, a cocaine use-dependent inhibitor of dopamine synthesis.	2010 Sep	20729865

Patents

Substance Class	Chemical Created by `admin` on `Sat Dec 16 11:03:56 GMT 2023` Edited by `admin` on `Sat Dec 16 11:03:56 GMT 2023`
Record UNII	F9H432757X
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

CVT-10216

Common Name

English

3-(((3-(4-((METHYLSULFONYL)AMINO)PHENYL)-4-OXO-4H-CHROMEN-7-YL)OXY)METHYL)BENZOIC ACID

Systematic Name

English

BENZOIC ACID, 3-(((3-(4-((METHYLSULFONYL)AMINO)PHENYL)-4-OXO-4H-1-BENZOPYRAN-7-YL)OXY)METHYL)-

Systematic Name

English

Code System Code Type Description

PUBCHEM

23661666

Created by admin on Sat Dec 16 11:03:56 GMT 2023 , Edited by admin on Sat Dec 16 11:03:56 GMT 2023

PRIMARY

FDA UNII

F9H432757X

Created by admin on Sat Dec 16 11:03:56 GMT 2023 , Edited by admin on Sat Dec 16 11:03:56 GMT 2023

PRIMARY

CAS

1005334-57-5

Created by admin on Sat Dec 16 11:03:56 GMT 2023 , Edited by admin on Sat Dec 16 11:03:56 GMT 2023

PRIMARY

Related Record Type Details


					F9H432757X

CVT-10216

ACTIVE MOIETY