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Details

Stereochemistry RACEMIC
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-FFKFEZPRSA-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+;/m11./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)-, (1S,4R)-, REL-, SULFATE (2:1)
Systematic Name English
ABACAVIR SULFATE (±)-
Common Name English
ABACAVIR SULFATE RACEMIC [USP-RS]
Common Name English
Code System Code Type Description
PUBCHEM
441384
Created by admin on Sat Dec 16 09:42:45 UTC 2023 , Edited by admin on Sat Dec 16 09:42:45 UTC 2023
PRIMARY
RS_ITEM_NUM
1000419
Created by admin on Sat Dec 16 09:42:45 UTC 2023 , Edited by admin on Sat Dec 16 09:42:45 UTC 2023
PRIMARY
CAS
1423331-68-3
Created by admin on Sat Dec 16 09:42:45 UTC 2023 , Edited by admin on Sat Dec 16 09:42:45 UTC 2023
NON-SPECIFIC STEREOCHEMISTRY
CAS
2736655-48-2
Created by admin on Sat Dec 16 09:42:45 UTC 2023 , Edited by admin on Sat Dec 16 09:42:45 UTC 2023
PRIMARY
FDA UNII
1PPL256S5A
Created by admin on Sat Dec 16 09:42:45 UTC 2023 , Edited by admin on Sat Dec 16 09:42:45 UTC 2023
PRIMARY