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Details

Stereochemistry ABSOLUTE
Molecular Formula 2C14H18N6O.H2O4S
Molecular Weight 670.743
Optical Activity ( + )
Defined Stereocenters 4 / 4
E/Z Centers 0
Charge 0

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

SMILES

OS(O)(=O)=O.NC1=NC2=C(N=CN2[C@H]3C[C@@H](CO)C=C3)C(NC4CC4)=N1.NC5=NC6=C(N=CN6[C@H]7C[C@@H](CO)C=C7)C(NC8CC8)=N5

InChI

InChIKey=WMHSRBZIJNQHKT-NRCOEFLKSA-N
InChI=1S/2C14H18N6O.H2O4S/c2*15-14-18-12(17-9-2-3-9)11-13(19-14)20(7-16-11)10-4-1-8(5-10)6-21;1-5(2,3)4/h2*1,4,7-10,21H,2-3,5-6H2,(H3,15,17,18,19);(H2,1,2,3,4)/t2*8-,10+;/m00./s1

HIDE SMILES / InChI

Approval Year

Name Type Language
ABACAVIR SULFATE, (+)-
Common Name English
2-CYCLOPENTENE-1-METHANOL, 4-(2-AMINO-6-(CYCLOPROPYLAMINO)-9H-PURIN-9-YL)-, (1R,4S)-, SULFATE (2:1)
Systematic Name English
ABACAVIR SULFATE, (1R,4S)-
Common Name English
Code System Code Type Description
FDA UNII
PMA9EH08PM
Created by admin on Sat Dec 16 14:50:53 GMT 2023 , Edited by admin on Sat Dec 16 14:50:53 GMT 2023
PRIMARY
PUBCHEM
121490831
Created by admin on Sat Dec 16 14:50:53 GMT 2023 , Edited by admin on Sat Dec 16 14:50:53 GMT 2023
PRIMARY
CAS
935777-88-1
Created by admin on Sat Dec 16 14:50:53 GMT 2023 , Edited by admin on Sat Dec 16 14:50:53 GMT 2023
PRIMARY