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

Details

Stereochemistry ABSOLUTE
Molecular Formula C18H21ClN10O
Molecular Weight 428.879
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of N6-CYCLOPROPYL-9-((1R,4S)-4-(((2,5-DIAMINO-6-CHLOROPYRIMIDIN-4-YL)OXY)METHYL)CYCLOPENT-2-EN-1-YL)-9H-PURINE-2,6-DIAMINE

SMILES

NC1=NC2=C(N=CN2[C@@H]3C[C@H](COC4=NC(N)=NC(Cl)=C4N)C=C3)C(NC5CC5)=N1

InChI

InChIKey=GETKMSKGQYJOPI-SCZZXKLOSA-N
InChI=1S/C18H21ClN10O/c19-13-11(20)16(28-17(21)25-13)30-6-8-1-4-10(5-8)29-7-23-12-14(24-9-2-3-9)26-18(22)27-15(12)29/h1,4,7-10H,2-3,5-6,20H2,(H2,21,25,28)(H3,22,24,26,27)/t8-,10+/m1/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
N6-CYCLOPROPYL-9-((1R,4S)-4-(((2,5-DIAMINO-6-CHLOROPYRIMIDIN-4-YL)OXY)METHYL)CYCLOPENT-2-EN-1-YL)-9H-PURINE-2,6-DIAMINE
Systematic Name English
N6-CYCLOPROPYL-9-((1R,4S)-4-((2,5-DIAMINO-6-CHLOROPYRIMIDIN-4-YLOXY)METHYL)CYCLOPENT-2-ENYL(-9H-PURINE-2,6-DIAMINE
Systematic Name English
ABACAVIR RELATED COMPOUND D [USP IMPURITY]
Common Name English
ABACAVIR RELATED COMPOUND D [USP-RS]
Common Name English
6-(CYCLOPROPYLAMINO)-9-((1R,4S)-4-(((2,5-DIAMINO-6-CHLOROPYRIMIDIN-4-YL)OXY)METHYL)CYCLOPENT-2-ENYL)-9H-PURINE-2-AMINE
Systematic Name English
ABACAVIR SULFATE IMPURITY B [WHO-IP]
Common Name English
ABACAVIR SULFATE IMPURITY B [EP IMPURITY]
Common Name English
9H-PURINE-2,6-DIAMINE, N6-CYCLOPROPYL-9-((1R,4S)-4-(((2,5-DIAMINO-6-CHLORO-4-PYRIMIDINYL)OXY)METHYL)-2-CYCLOPENTEN-1-YL)-
Systematic Name English
O-PYRIMIDINE DERIVATIVE ABACAVIR [USP IMPURITY]
Common Name English
Code System Code Type Description
PUBCHEM
73425538
Created by admin on Sat Dec 16 05:45:00 GMT 2023 , Edited by admin on Sat Dec 16 05:45:00 GMT 2023
PRIMARY
FDA UNII
8YR0EYX97M
Created by admin on Sat Dec 16 05:45:00 GMT 2023 , Edited by admin on Sat Dec 16 05:45:00 GMT 2023
PRIMARY
CAS
1443421-69-9
Created by admin on Sat Dec 16 05:45:00 GMT 2023 , Edited by admin on Sat Dec 16 05:45:00 GMT 2023
PRIMARY
RS_ITEM_NUM
1000437
Created by admin on Sat Dec 16 05:45:00 GMT 2023 , Edited by admin on Sat Dec 16 05:45:00 GMT 2023
PRIMARY