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Details

Stereochemistry ABSOLUTE
Molecular Formula C14H18N6O.ClH
Molecular Weight 322.793
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ABACAVIR HYDROCHLORIDE

SMILES

Cl.NC1=NC(NC2CC2)=C3N=CN([C@@H]4C[C@H](CO)C=C4)C3=N1

InChI

InChIKey=QXNOPHSMRJNHHG-SCYNACPDSA-N
InChI=1S/C14H18N6O.ClH/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);1H/t8-,10+;/m1./s1

HIDE SMILES / InChI

Molecular Formula ClH
Molecular Weight 36.461
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

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 14:07:25 UTC 2023
Edited
by admin
on Sat Dec 16 14:07:25 UTC 2023
Record UNII
RP0T719KX7
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ABACAVIR HYDROCHLORIDE
Common Name English
Abacavir hydrochloride [WHO-DD]
Common Name English
2-CYCLOPENTENE-1-METHANOL, 4-(2-AMINO-6-(CYCLOPROPYLAMINO)-9H-PURIN-9-YL)-, HYDROCHLORIDE (1:1), (1S,4R)-
Systematic Name English
Code System Code Type Description
FDA UNII
RP0T719KX7
Created by admin on Sat Dec 16 14:07:25 UTC 2023 , Edited by admin on Sat Dec 16 14:07:25 UTC 2023
PRIMARY
CAS
216698-93-0
Created by admin on Sat Dec 16 14:07:25 UTC 2023 , Edited by admin on Sat Dec 16 14:07:25 UTC 2023
NON-SPECIFIC STOICHIOMETRY
CAS
136777-48-5
Created by admin on Sat Dec 16 14:07:25 UTC 2023 , Edited by admin on Sat Dec 16 14:07:25 UTC 2023
PRIMARY
EPA CompTox
DTXSID30669987
Created by admin on Sat Dec 16 14:07:25 UTC 2023 , Edited by admin on Sat Dec 16 14:07:25 UTC 2023
PRIMARY
PUBCHEM
67588134
Created by admin on Sat Dec 16 14:07:25 UTC 2023 , Edited by admin on Sat Dec 16 14:07:25 UTC 2023
PRIMARY
SMS_ID
100000170422
Created by admin on Sat Dec 16 14:07:25 UTC 2023 , Edited by admin on Sat Dec 16 14:07:25 UTC 2023
PRIMARY
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ACTIVE MOIETY