ATABECESTAT

U.S. Department of Health & Human Services Divider Arrow

National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C18H14FN5OS
Molecular Weight	367.4
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of ATABECESTAT

Structure Search

SMILES

C[C@]1(C=CSC(N)=N1)C2=CC(NC(=O)C3=NC=C(C=C3)C#N)=CC=C2F

InChI

InChIKey=VLLFGVHGKLDDLW-SFHVURJKSA-N

InChI=1S/C18H14FN5OS/c1-18(6-7-26-17(21)24-18)13-8-12(3-4-14(13)19)23-16(25)15-5-2-11(9-20)10-22-15/h2-8,10H,1H3,(H2,21,24)(H,23,25)/t18-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C18H14FN5OS
Molecular Weight	367.4
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	1 / 1
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 10:48:05 GMT 2023` Edited by `admin` on `Sat Dec 16 10:48:05 GMT 2023`
Record UNII	2834W8D6GK
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

ATABECESTAT

Official Name

English

N-(3-((4S)-2-AMINO-4-METHYL-4H-1,3-THIAZIN-4-YL)-4-FLUOROPHENYL)-5- CYANOPYRIDINE-2-CARBOXAMIDE

Systematic Name

English

2-PYRIDINECARBOXAMIDE, N-(3-((4S)-2-AMINO-4-METHYL-4H-1,3-THIAZIN-4-YL)-4-FLUOROPHENYL)-5-CYANO-

Systematic Name

English

JNJ-54861911

Code

English

ATABECESTAT [USAN]

Common Name

English

RSC-385896

Code

English

atabecestat [INN]

Common Name

English

JNJ-54861911-AAA

Code

English

Code System Code Type Description

NCI_THESAURUS

C166553

Created by admin on Sat Dec 16 10:48:05 GMT 2023 , Edited by admin on Sat Dec 16 10:48:05 GMT 2023

PRIMARY

DRUG BANK

DB15307

Created by admin on Sat Dec 16 10:48:05 GMT 2023 , Edited by admin on Sat Dec 16 10:48:05 GMT 2023

PRIMARY

PUBCHEM

68254185

Created by admin on Sat Dec 16 10:48:05 GMT 2023 , Edited by admin on Sat Dec 16 10:48:05 GMT 2023

PRIMARY

INN

10650

Created by admin on Sat Dec 16 10:48:05 GMT 2023 , Edited by admin on Sat Dec 16 10:48:05 GMT 2023

PRIMARY

FDA UNII

2834W8D6GK

Created by admin on Sat Dec 16 10:48:05 GMT 2023 , Edited by admin on Sat Dec 16 10:48:05 GMT 2023

PRIMARY

USAN

FG-54

Created by admin on Sat Dec 16 10:48:05 GMT 2023 , Edited by admin on Sat Dec 16 10:48:05 GMT 2023

PRIMARY

SMS_ID

100000177913

Created by admin on Sat Dec 16 10:48:05 GMT 2023 , Edited by admin on Sat Dec 16 10:48:05 GMT 2023

PRIMARY

CAS

1972652-51-9

Created by admin on Sat Dec 16 10:48:05 GMT 2023 , Edited by admin on Sat Dec 16 10:48:05 GMT 2023

NO STRUCTURE GIVEN

CAS

1200493-78-2

Created by admin on Sat Dec 16 10:48:05 GMT 2023 , Edited by admin on Sat Dec 16 10:48:05 GMT 2023

PRIMARY

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