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Details

Stereochemistry ABSOLUTE
Molecular Formula C14H18N6O.C4H6O4
Molecular Weight 404.4204
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ABACAVIR SUCCINATE

SMILES

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

InChI

InChIKey=BOONDNCXQPMXQT-SCYNACPDSA-N
InChI=1S/C14H18N6O.C4H6O4/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;5-3(6)1-2-4(7)8/h1,4,7-10,21H,2-3,5-6H2,(H3,15,17,18,19);1-2H2,(H,5,6)(H,7,8)/t8-,10+;/m1./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

Molecular Formula C4H6O4
Molecular Weight 118.088
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Fri Dec 15 15:53:20 UTC 2023
Edited
by admin
on Fri Dec 15 15:53:20 UTC 2023
Record UNII
40FH6D8CHK
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ABACAVIR SUCCINATE
MART.   USAN   WHO-DD  
USAN  
Official Name English
2-CYCLOPENTENE-1-METHANOL, 4-(2-AMINO-6-(CYCLOPROPYLAMINO)-9H-PURIN-9-YL)-, (1S-CIS)-, BUTANEDIOATE (1:1) (SALT)
Common Name English
(1S,4R)-4-(2-AMINO-6(CYCLOPROPYLAMINO)-9H-PURIN-9-YL)-2-CYCLOPENTENE-1-METHANOL SUCCINATE(1:1) (SALT)
Common Name English
ABACAVIR SUCCINATE [USAN]
Common Name English
Abacavir succinate [WHO-DD]
Common Name English
ABACAVIR SUCCINATE [MART.]
Common Name English
Classification Tree Code System Code
NCI_THESAURUS C97452
Created by admin on Fri Dec 15 15:53:20 UTC 2023 , Edited by admin on Fri Dec 15 15:53:20 UTC 2023
Code System Code Type Description
FDA UNII
40FH6D8CHK
Created by admin on Fri Dec 15 15:53:20 UTC 2023 , Edited by admin on Fri Dec 15 15:53:20 UTC 2023
PRIMARY
EPA CompTox
DTXSID10937454
Created by admin on Fri Dec 15 15:53:20 UTC 2023 , Edited by admin on Fri Dec 15 15:53:20 UTC 2023
PRIMARY
SMS_ID
100000089384
Created by admin on Fri Dec 15 15:53:20 UTC 2023 , Edited by admin on Fri Dec 15 15:53:20 UTC 2023
PRIMARY
PUBCHEM
9822500
Created by admin on Fri Dec 15 15:53:20 UTC 2023 , Edited by admin on Fri Dec 15 15:53:20 UTC 2023
PRIMARY
NCI_THESAURUS
C71608
Created by admin on Fri Dec 15 15:53:20 UTC 2023 , Edited by admin on Fri Dec 15 15:53:20 UTC 2023
PRIMARY
EVMPD
SUB25392
Created by admin on Fri Dec 15 15:53:20 UTC 2023 , Edited by admin on Fri Dec 15 15:53:20 UTC 2023
PRIMARY
CAS
168146-84-7
Created by admin on Fri Dec 15 15:53:20 UTC 2023 , Edited by admin on Fri Dec 15 15:53:20 UTC 2023
PRIMARY
ChEMBL
CHEMBL1380
Created by admin on Fri Dec 15 15:53:20 UTC 2023 , Edited by admin on Fri Dec 15 15:53:20 UTC 2023
PRIMARY
USAN
II-25
Created by admin on Fri Dec 15 15:53:20 UTC 2023 , Edited by admin on Fri Dec 15 15:53:20 UTC 2023
PRIMARY
MESH
C106538
Created by admin on Fri Dec 15 15:53:20 UTC 2023 , Edited by admin on Fri Dec 15 15:53:20 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE
PARENT -> SALT/SOLVATE
Related Record Type Details
ACTIVE MOIETY