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Details

Stereochemistry ABSOLUTE
Molecular Formula C10H14ClFN5O12P3
Molecular Weight 543.617
Optical Activity UNSPECIFIED
Defined Stereocenters 4 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Clofarabine triphosphate

SMILES

NC1=C2N=CN([C@@H]3O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@@H]3F)C2=NC(Cl)=N1

InChI

InChIKey=ILZCVFJUTWHERD-AYQXTPAHSA-N
InChI=1S/C10H14ClFN5O12P3/c11-10-15-7(13)5-8(16-10)17(2-14-5)9-4(12)6(18)3(27-9)1-26-31(22,23)29-32(24,25)28-30(19,20)21/h2-4,6,9,18H,1H2,(H,22,23)(H,24,25)(H2,13,15,16)(H2,19,20,21)/t3-,4+,6-,9-/m1/s1

HIDE SMILES / InChI

Molecular Formula C10H14ClFN5O12P3
Molecular Weight 543.617
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 4 / 4
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 19:23:27 UTC 2023
Edited
by admin
on Sat Dec 16 19:23:27 UTC 2023
Record UNII
YPJ8ZV99ZP
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Clofarabine triphosphate
Common Name English
9H-Purin-6-amine, 2-chloro-9-[2-deoxy-2-fluoro-5-O-[hydroxy[[hydroxy(phosphonooxy)phosphinyl]oxy]phosphinyl]-β-D-arabinofuranosyl]-
Systematic Name English
2-Chloro-9-[2-deoxy-2-fluoro-5-O-[hydroxy[[hydroxy(phosphonooxy)phosphinyl]oxy]phosphinyl]-β-D-arabinofuranosyl]-9H-purin-6-amine
Systematic Name English
Code System Code Type Description
PUBCHEM
9915350
Created by admin on Sat Dec 16 19:23:27 UTC 2023 , Edited by admin on Sat Dec 16 19:23:27 UTC 2023
PRIMARY
FDA UNII
YPJ8ZV99ZP
Created by admin on Sat Dec 16 19:23:27 UTC 2023 , Edited by admin on Sat Dec 16 19:23:27 UTC 2023
PRIMARY
CAS
134646-41-6
Created by admin on Sat Dec 16 19:23:27 UTC 2023 , Edited by admin on Sat Dec 16 19:23:27 UTC 2023
PRIMARY
EPA CompTox
DTXSID00432746
Created by admin on Sat Dec 16 19:23:27 UTC 2023 , Edited by admin on Sat Dec 16 19:23:27 UTC 2023
PRIMARY
Related Record Type Details
TARGET -> INHIBITOR
Related Record Type Details
PRODRUG -> METABOLITE ACTIVE