GS-441524

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National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C12H13N5O4
Molecular Weight	291.2627
Optical Activity	UNSPECIFIED
Defined Stereocenters	4 / 4
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of GS-441524

Structure Search

SMILES

NC1=NC=NN2C1=CC=C2[C@@]3(O[C@H](CO)[C@@H](O)[C@H]3O)C#N

InChI

InChIKey=BRDWIEOJOWJCLU-LTGWCKQJSA-N

InChI=1S/C12H13N5O4/c13-4-12(10(20)9(19)7(3-18)21-12)8-2-1-6-11(14)15-5-16-17(6)8/h1-2,5,7,9-10,18-20H,3H2,(H2,14,15,16)/t7-,9-,10-,12+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C12H13N5O4
Molecular Weight	291.2627
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	4 / 4
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 16:03:25 GMT 2023` Edited by `admin` on `Sat Dec 16 16:03:25 GMT 2023`
Record UNII	1BQK176DT6
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

GS-441524

Code

English

2-C-(4-AMINOPYRROLO(2,1-F)(1,2,4)TRIAZIN-7-YL)-2,5-ANHYDRO-D-ALTRONONITRILE

Systematic Name

English

D-ALTRONONITRILE, 2-C-(4-AMINOPYRROLO(2,1-F)(1,2,4)TRIAZIN-7-YL)-2,5-ANHYDRO-

Systematic Name

English

GS441524

Code

English

Code System Code Type Description

PUBCHEM

44468216

Created by admin on Sat Dec 16 16:03:26 GMT 2023 , Edited by admin on Sat Dec 16 16:03:26 GMT 2023

PRIMARY

FDA UNII

1BQK176DT6

Created by admin on Sat Dec 16 16:03:26 GMT 2023 , Edited by admin on Sat Dec 16 16:03:26 GMT 2023

PRIMARY

EPA CompTox

DTXSID201028047

Created by admin on Sat Dec 16 16:03:26 GMT 2023 , Edited by admin on Sat Dec 16 16:03:26 GMT 2023

PRIMARY

DRUG BANK

DB15686

Created by admin on Sat Dec 16 16:03:26 GMT 2023 , Edited by admin on Sat Dec 16 16:03:26 GMT 2023

PRIMARY

CAS

1191237-69-0

Created by admin on Sat Dec 16 16:03:26 GMT 2023 , Edited by admin on Sat Dec 16 16:03:26 GMT 2023

PRIMARY

WIKIPEDIA

GS-441524

Created by admin on Sat Dec 16 16:03:26 GMT 2023 , Edited by admin on Sat Dec 16 16:03:26 GMT 2023

PRIMARY

CHEBI

147281

Created by admin on Sat Dec 16 16:03:26 GMT 2023 , Edited by admin on Sat Dec 16 16:03:26 GMT 2023

PRIMARY

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ACTIVE MOIETY

Amount:

Name	Property Type	Amount	Referenced Substance	Defining	Parameters	References
Biological Half-life	PHARMACOKINETIC

Tmax	PHARMACOKINETIC

Blood-to-plasma ratio	PHARMACOKINETIC