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

Details

Stereochemistry ABSOLUTE
Molecular Formula C14H18N6O
Molecular Weight 286.3323
Optical Activity ( + )
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ABACAVIR, (+)-

SMILES

NC1=NC2=C(N=CN2[C@H]3C[C@@H](CO)C=C3)C(NC4CC4)=N1

InChI

InChIKey=MCGSCOLBFJQGHM-WCBMZHEXSA-N
InChI=1S/C14H18N6O/c15-14-18-12(17-9-2-3-9)11-13(19-14)20(7-16-11)10-4-1-8(5-10)6-21/h1,4,7-10,21H,2-3,5-6H2,(H3,15,17,18,19)/t8-,10+/m0/s1

HIDE SMILES / InChI

Molecular Formula C14H18N6O
Molecular Weight 286.3323
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 11:04:11 GMT 2023
Edited
by admin
on Sat Dec 16 11:04:11 GMT 2023
Record UNII
X9A7099R51
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ABACAVIR, (+)-
Common Name English
2-CYCLOPENTENE-1-METHANOL, 4-(2-AMINO-6-(CYCLOPROPYLAMINO)-9H-PURIN-9-YL)-, (1R-CIS)-
Systematic Name English
2-CYCLOPENTENE-1-METHANOL, 4-(2-AMINO-6-(CYCLOPROPYLAMINO)-9H-PURIN-9-YL)-, (1R,4S)-
Systematic Name English
ABACAVIR ENANTIOMER
Common Name English
ABACAVIR, (1R,4S)-
Common Name English
ABACAVIR SULFATE IMPURITY A [EP IMPURITY]
Common Name English
ABACAVIR SULFATE IMPURITY A [WHO-IP]
Common Name English
((1R,4S)-4-(2-AMINO-6-(CYCLOPROPYLAMINO)-9H-PURIN-9-YL)CYCLOPENT-2-ENYL)METHANOL
Systematic Name English
Code System Code Type Description
FDA UNII
X9A7099R51
Created by admin on Sat Dec 16 11:04:11 GMT 2023 , Edited by admin on Sat Dec 16 11:04:11 GMT 2023
PRIMARY
PUBCHEM
469584
Created by admin on Sat Dec 16 11:04:11 GMT 2023 , Edited by admin on Sat Dec 16 11:04:11 GMT 2023
PRIMARY
EPA CompTox
DTXSID20332855
Created by admin on Sat Dec 16 11:04:11 GMT 2023 , Edited by admin on Sat Dec 16 11:04:11 GMT 2023
PRIMARY
CAS
136470-79-6
Created by admin on Sat Dec 16 11:04:11 GMT 2023 , Edited by admin on Sat Dec 16 11:04:11 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP