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

Details

Stereochemistry ABSOLUTE
Molecular Formula C11H12ClN5O
Molecular Weight 265.699
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4-(2-AMINO-6-CHLORO-9H-PURIN-9-YL)-2-CYCLOPENTENE-1-METHANOL, (1S,4R)-

SMILES

NC1=NC(Cl)=C2N=CN([C@@H]3C[C@H](CO)C=C3)C2=N1

InChI

InChIKey=IHEDZPMXLKYPSA-RQJHMYQMSA-N
InChI=1S/C11H12ClN5O/c12-9-8-10(16-11(13)15-9)17(5-14-8)7-2-1-6(3-7)4-18/h1-2,5-7,18H,3-4H2,(H2,13,15,16)/t6-,7+/m1/s1

HIDE SMILES / InChI

Molecular Formula C11H12ClN5O
Molecular Weight 265.699
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

PubMed

PubMed

TitleDatePubMed
1592U89, a novel carbocyclic nucleoside analog with potent, selective anti-human immunodeficiency virus activity.
1997-05
Synthesis and anti-HIV activity of carbocyclic 2',3'-didehydro-2',3'-dideoxy 2,6-disubstituted purine nucleosides.
1990-01
Potent and selective activity of a new carbocyclic nucleoside analog (carbovir: NSC 614846) against human immunodeficiency virus in vitro.
1988-10-31
Patents
Substance Class Chemical
Created
by admin
on Mon Mar 31 22:41:42 GMT 2025
Edited
by admin
on Mon Mar 31 22:41:42 GMT 2025
Record UNII
H6WW65CFWD
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ABACAVIR RELATED COMPOUND C
USP-RS  
Preferred Name English
4-(2-AMINO-6-CHLORO-9H-PURIN-9-YL)-2-CYCLOPENTENE-1-METHANOL, (1S,4R)-
Systematic Name English
(1S,4R)-4-(2-AMINO-6-CHLORO-9H-PURIN-9-YL)-2-CYCLOPENTENE-1-METHANOL
Systematic Name English
2-CYCLOPENTENE-1-METHANOL, 4-(2-AMINO-6-CHLORO-9H-PURIN-9-YL)-, (1S,4R)-
Systematic Name English
ABACAVIR RELATED COMPOUND C [USP-RS]
Common Name English
Code System Code Type Description
CAS
136522-33-3
Created by admin on Mon Mar 31 22:41:42 GMT 2025 , Edited by admin on Mon Mar 31 22:41:42 GMT 2025
PRIMARY
RS_ITEM_NUM
1000452
Created by admin on Mon Mar 31 22:41:42 GMT 2025 , Edited by admin on Mon Mar 31 22:41:42 GMT 2025
PRIMARY
PUBCHEM
451474
Created by admin on Mon Mar 31 22:41:42 GMT 2025 , Edited by admin on Mon Mar 31 22:41:42 GMT 2025
PRIMARY
FDA UNII
H6WW65CFWD
Created by admin on Mon Mar 31 22:41:42 GMT 2025 , Edited by admin on Mon Mar 31 22:41:42 GMT 2025
PRIMARY
Related Record Type Details
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
INTERNATIONAL PHARMACOPEIA