PONALRESTAT

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National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C17H12BrFN2O3
Molecular Weight	391.191
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of PONALRESTAT

Structure Search

SMILES

OC(=O)CC1=NN(CC2=C(F)C=C(Br)C=C2)C(=O)C3=CC=CC=C13

InChI

InChIKey=LKBFFDOJUKLQNY-UHFFFAOYSA-N

InChI=1S/C17H12BrFN2O3/c18-11-6-5-10(14(19)7-11)9-21-17(24)13-4-2-1-3-12(13)15(20-21)8-16(22)23/h1-7H,8-9H2,(H,22,23)

HIDE SMILES / InChI

Molecular Formula	C17H12BrFN2O3
Molecular Weight	391.191
Charge	0
Count

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

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 17:15:28 UTC 2023` Edited by `admin` on `Fri Dec 15 17:15:28 UTC 2023`
Record UNII	2CV0A5G64E
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

PONALRESTAT

Official Name

English

PONALRESTAT [MART.]

Common Name

English

PONALRESTAT [USAN]

Common Name

English

3-(4-Bromo-2-fluorobenzyl)-3,4-dihydro-4-oxo-1-phthalazineacetic acid

Systematic Name

English

ICI-128436

Code

English

1-PHTHALAZINEACETIC ACID, 3-((4-BROMO-2-FLUOROPHENYL)METHYL)-3,4-DIHYDRO-4-OXO-

Common Name

English

ponalrestat [INN]

Common Name

English

ICI 128,436

Code

English

Classification Tree Code System Code

NCI_THESAURUS

C72880

Created by admin on Fri Dec 15 17:15:28 UTC 2023 , Edited by admin on Fri Dec 15 17:15:28 UTC 2023

Code System Code Type Description

FDA UNII

2CV0A5G64E

Created by admin on Fri Dec 15 17:15:28 UTC 2023 , Edited by admin on Fri Dec 15 17:15:28 UTC 2023

PRIMARY

NCI_THESAURUS

C82173

Created by admin on Fri Dec 15 17:15:28 UTC 2023 , Edited by admin on Fri Dec 15 17:15:28 UTC 2023

PRIMARY

SMS_ID

100000081388

Created by admin on Fri Dec 15 17:15:28 UTC 2023 , Edited by admin on Fri Dec 15 17:15:28 UTC 2023

PRIMARY

CAS

72702-95-5

Created by admin on Fri Dec 15 17:15:28 UTC 2023 , Edited by admin on Fri Dec 15 17:15:28 UTC 2023

PRIMARY

EPA CompTox

DTXSID1045665

Created by admin on Fri Dec 15 17:15:28 UTC 2023 , Edited by admin on Fri Dec 15 17:15:28 UTC 2023

PRIMARY

ChEMBL

CHEMBL7679

Created by admin on Fri Dec 15 17:15:28 UTC 2023 , Edited by admin on Fri Dec 15 17:15:28 UTC 2023

PRIMARY

MESH

C042829

Created by admin on Fri Dec 15 17:15:28 UTC 2023 , Edited by admin on Fri Dec 15 17:15:28 UTC 2023

PRIMARY

PUBCHEM

5278

Created by admin on Fri Dec 15 17:15:28 UTC 2023 , Edited by admin on Fri Dec 15 17:15:28 UTC 2023

PRIMARY

INN

6218

Created by admin on Fri Dec 15 17:15:28 UTC 2023 , Edited by admin on Fri Dec 15 17:15:28 UTC 2023

PRIMARY

USAN

Z-76

Created by admin on Fri Dec 15 17:15:28 UTC 2023 , Edited by admin on Fri Dec 15 17:15:28 UTC 2023

PRIMARY

EVMPD

SUB09978MIG

Created by admin on Fri Dec 15 17:15:28 UTC 2023 , Edited by admin on Fri Dec 15 17:15:28 UTC 2023

PRIMARY

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