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Details

Stereochemistry ABSOLUTE
Molecular Formula C14H18N6O.ClH.H2O
Molecular Weight 340.809
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ABACAVIR HYDROCHLORIDE MONOHYDRATE

SMILES

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

InChI

InChIKey=XYDFTVTUCLYHFD-WAZPLGGWSA-N
InChI=1S/C14H18N6O.ClH.H2O/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;1H2/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 H2O
Molecular Weight 18.0153
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 18:42:14 UTC 2023
Edited
by admin
on Sat Dec 16 18:42:14 UTC 2023
Record UNII
GZP7A66C3C
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ABACAVIR HYDROCHLORIDE MONOHYDRATE
Common Name English
2-CYCLOPENTENE-1-METHANOL, 4-(2-AMINO-6-(CYCLOPROPYLAMINO)-9H-PURIN-9-YL)-, HYDROCHLORIDE, HYDRATE (1:1:1), (1S,4R)-
Systematic Name English
Code System Code Type Description
SMS_ID
100000177319
Created by admin on Sat Dec 16 18:42:14 UTC 2023 , Edited by admin on Sat Dec 16 18:42:14 UTC 2023
PRIMARY
PUBCHEM
91669196
Created by admin on Sat Dec 16 18:42:14 UTC 2023 , Edited by admin on Sat Dec 16 18:42:14 UTC 2023
PRIMARY
FDA UNII
GZP7A66C3C
Created by admin on Sat Dec 16 18:42:14 UTC 2023 , Edited by admin on Sat Dec 16 18:42:14 UTC 2023
PRIMARY
CAS
1692881-18-7
Created by admin on Sat Dec 16 18:42:14 UTC 2023 , Edited by admin on Sat Dec 16 18:42:14 UTC 2023
PRIMARY
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ANHYDROUS->SOLVATE
PARENT -> SALT/SOLVATE
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ACTIVE MOIETY