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

Details

Stereochemistry ABSOLUTE
Molecular Formula C10H12ClN5O3
Molecular Weight 285.687
Optical Activity UNSPECIFIED
Defined Stereocenters 3 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1'-EPI-CLADRIBINE

SMILES

NC1=NC(Cl)=NC2=C1N=CN2[C@@H]3C[C@H](O)[C@@H](CO)O3

InChI

InChIKey=PTOAARAWEBMLNO-JKUQZMGJSA-N
InChI=1S/C10H12ClN5O3/c11-10-14-8(12)7-9(15-10)16(3-13-7)6-1-4(18)5(2-17)19-6/h3-6,17-18H,1-2H2,(H2,12,14,15)/t4-,5+,6-/m0/s1

HIDE SMILES / InChI

Molecular Formula C10H12ClN5O3
Molecular Weight 285.687
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 3 / 3
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 18:23:02 UTC 2023
Edited
by admin
on Sat Dec 16 18:23:02 UTC 2023
Record UNII
P44J6L6VZ7
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1'-EPI-CLADRIBINE
Common Name English
2-CHLORO-6-AMINO-9-(2-DEOXY-.ALPHA.-D-ERYTHRO-PENTOFURANOSYL)PURINE
Systematic Name English
NSC-105013
Code English
ADENINE, 2-CHLORO-9-(2-DEOXY-.ALPHA.-D-ERYTHRO-PENTOFURANOSYL)-
Systematic Name English
CLADRIBINE IMPURITY D [EP IMPURITY]
Common Name English
2-CHLORO-9-(2-DEOXY-.ALPHA.-D-ERYTHRO-PENTOFURANOSYL)-9H-PURIN-6-AMINE
Systematic Name English
2-CHLORO-.ALPHA.-D-2'-DEOXYADENOSINE
Common Name English
9H-PURIN-6-AMINE, 2-CHLORO-9-(2-DEOXY-.ALPHA.-D-ERYTHRO-PENTOFURANOSYL)-
Systematic Name English
Code System Code Type Description
FDA UNII
P44J6L6VZ7
Created by admin on Sat Dec 16 18:23:02 UTC 2023 , Edited by admin on Sat Dec 16 18:23:02 UTC 2023
PRIMARY
EPA CompTox
DTXSID50274315
Created by admin on Sat Dec 16 18:23:02 UTC 2023 , Edited by admin on Sat Dec 16 18:23:02 UTC 2023
PRIMARY
NSC
105013
Created by admin on Sat Dec 16 18:23:02 UTC 2023 , Edited by admin on Sat Dec 16 18:23:02 UTC 2023
PRIMARY
CAS
5542-92-7
Created by admin on Sat Dec 16 18:23:02 UTC 2023 , Edited by admin on Sat Dec 16 18:23:02 UTC 2023
PRIMARY
PUBCHEM
6713101
Created by admin on Sat Dec 16 18:23:02 UTC 2023 , Edited by admin on Sat Dec 16 18:23:02 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP