U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C10H12BrN5O4
Molecular Weight 346.137
Optical Activity UNSPECIFIED
Defined Stereocenters 4 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 9-.BETA.-D-ARABINOFURANOSYL-8-BROMO-9H-PURIN-6-AMINE

SMILES

NC1=NC=NC2=C1N=C(Br)N2[C@@H]3O[C@H](CO)[C@@H](O)[C@@H]3O

InChI

InChIKey=VJUPMOPLUQHMLE-FJFJXFQQSA-N
InChI=1S/C10H12BrN5O4/c11-10-15-4-7(12)13-2-14-8(4)16(10)9-6(19)5(18)3(1-17)20-9/h2-3,5-6,9,17-19H,1H2,(H2,12,13,14)/t3-,5-,6+,9-/m1/s1

HIDE SMILES / InChI

Approval Year

Unknown
149124
Name Type Language
9-.BETA.-D-ARABINOFURANOSYL-8-BROMO-9H-PURIN-6-AMINE
Systematic Name English
9H-PURIN-6-AMINE, 9-.BETA.-D-ARABINOFURANOSYL-8-BROMO-
Preferred Name English
(2R,3S,4S,5R)-2-(6-AMINO-8-BROMO-9H-PURIN-9-YL)-5-(HYDROXYMETHYL)OXOLANE-3,4-DIOL
Systematic Name English
Code System Code Type Description
FDA UNII
9FU2HA5DXQ
Created by admin on Mon Mar 31 22:46:00 GMT 2025 , Edited by admin on Mon Mar 31 22:46:00 GMT 2025
PRIMARY
CAS
71203-25-3
Created by admin on Mon Mar 31 22:46:00 GMT 2025 , Edited by admin on Mon Mar 31 22:46:00 GMT 2025
PRIMARY
PUBCHEM
12939901
Created by admin on Mon Mar 31 22:46:00 GMT 2025 , Edited by admin on Mon Mar 31 22:46:00 GMT 2025
PRIMARY
NIH
NCATS
PRIVACY NOTICE
ACCESSIBILITY
DISCLAIMER
HHS VULNERABILITY DISCLOSURE
For language access assistance, contact the NCATS Public Information Officer
National Center for Advancing Translational Sciences (NCATS),
6701 Democracy Boulevard, Bethesda MD 20892-4874 • 301-594-8966