LIBVATREP

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C18H15N3O2
Molecular Weight	305.3306
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of LIBVATREP

Structure Search

SMILES

CC(C)C1=NC2=C(C=CC(O)=C2)C(=O)N1C3=CC=C(C=C3)C#N

InChI

InChIKey=JFPXRFIBKKSHGY-UHFFFAOYSA-N

InChI=1S/C18H15N3O2/c1-11(2)17-20-16-9-14(22)7-8-15(16)18(23)21(17)13-5-3-12(10-19)4-6-13/h3-9,11,22H,1-2H3

HIDE SMILES / InChI

Molecular Formula	C18H15N3O2
Molecular Weight	305.3306
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 `Mon Mar 31 20:59:25 GMT 2025` Edited by `admin` on `Mon Mar 31 20:59:25 GMT 2025`
Record UNII	6W8B801TZM
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

LIBVATREP

Official Name

English

libvatrep [INN]

Preferred Name

English

4-(7-HYDROXY-4-OXO-2-(PROPAN-2-YL)QUINAZOLIN-3(4H)-YL)BENZONITRILE

Systematic Name

English

BENZONITRILE, 4-(7-HYDROXY-2-(1-METHYLETHYL)-4-OXO-3(4H)-QUINAZOLINYL)-

Systematic Name

English

Code System Code Type Description

CAS

871814-52-7

Created by admin on Mon Mar 31 20:59:25 GMT 2025 , Edited by admin on Mon Mar 31 20:59:25 GMT 2025

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FDA UNII

6W8B801TZM

Created by admin on Mon Mar 31 20:59:25 GMT 2025 , Edited by admin on Mon Mar 31 20:59:25 GMT 2025

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NCI_THESAURUS

C179099

Created by admin on Mon Mar 31 20:59:25 GMT 2025 , Edited by admin on Mon Mar 31 20:59:25 GMT 2025

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PUBCHEM

25138363

Created by admin on Mon Mar 31 20:59:25 GMT 2025 , Edited by admin on Mon Mar 31 20:59:25 GMT 2025

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ChEMBL

CHEMBL3544953

Created by admin on Mon Mar 31 20:59:25 GMT 2025 , Edited by admin on Mon Mar 31 20:59:25 GMT 2025

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SMS_ID

300000021951

Created by admin on Mon Mar 31 20:59:25 GMT 2025 , Edited by admin on Mon Mar 31 20:59:25 GMT 2025

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INN

11530

Created by admin on Mon Mar 31 20:59:25 GMT 2025 , Edited by admin on Mon Mar 31 20:59:25 GMT 2025

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INN

Related Record Type Details


					6W8B801TZM

LIBVATREP

ACTIVE MOIETY

Amount: