U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C18H22N6O4
Molecular Weight 386.4051
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of SUCCINOYLABACAVIR

SMILES

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

InChI

InChIKey=OURZUNZZCFVZMY-PWSUYJOCSA-N
InChI=1S/C18H22N6O4/c19-18-22-16(21-11-2-3-11)15-17(23-18)24(9-20-15)12-4-1-10(7-12)8-28-14(27)6-5-13(25)26/h1,4,9-12H,2-3,5-8H2,(H,25,26)(H3,19,21,22,23)/t10-,12+/m1/s1

HIDE SMILES / InChI

Molecular Formula C18H22N6O4
Molecular Weight 386.4051
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 10:27:29 GMT 2023
Edited
by admin
on Sat Dec 16 10:27:29 GMT 2023
Record UNII
JBZ4643AN7
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
SUCCINOYLABACAVIR
Common Name English
4-(((1S,4R)-4-(2-AMINO-6-(CYCLOPROPYLAMINO)-9H-PURIN-9-YL)CYCLOPENT-2-EN-1-YL)METHOXY)-4-OXOBUTANOIC ACID
Systematic Name English
Code System Code Type Description
PUBCHEM
91386152
Created by admin on Sat Dec 16 10:27:29 GMT 2023 , Edited by admin on Sat Dec 16 10:27:29 GMT 2023
PRIMARY
CAS
1821203-71-7
Created by admin on Sat Dec 16 10:27:29 GMT 2023 , Edited by admin on Sat Dec 16 10:27:29 GMT 2023
PRIMARY
FDA UNII
JBZ4643AN7
Created by admin on Sat Dec 16 10:27:29 GMT 2023 , Edited by admin on Sat Dec 16 10:27:29 GMT 2023
PRIMARY