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Details

Stereochemistry ABSOLUTE
Molecular Formula C8H14N3O13P3
Molecular Weight 453.1303
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of TROXACITABINE TRIPHOSPHATE

SMILES

NC1=NC(=O)N(C=C1)[C@@H]2CO[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O2

InChI

InChIKey=WNZKNPIDEYYOOQ-BQBZGAKWSA-N
InChI=1S/C8H14N3O13P3/c9-5-1-2-11(8(12)10-5)6-3-20-7(22-6)4-21-26(16,17)24-27(18,19)23-25(13,14)15/h1-2,6-7H,3-4H2,(H,16,17)(H,18,19)(H2,9,10,12)(H2,13,14,15)/t6-,7-/m0/s1

HIDE SMILES / InChI

Molecular Formula C8H14N3O13P3
Molecular Weight 453.1303
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 15:55:43 UTC 2023
Edited
by admin
on Sat Dec 16 15:55:43 UTC 2023
Record UNII
4YF9V91KCR
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
TROXACITABINE TRIPHOSPHATE
Common Name English
TRIPHOSPHORIC ACID, P-(((2S,4S)-4-(4-AMINO-2-OXO-1(2H)-PYRIMIDINYL)-1,3-DIOXOLAN-2-YL)METHYL) ESTER
Systematic Name English
Code System Code Type Description
PUBCHEM
503022
Created by admin on Sat Dec 16 15:55:43 UTC 2023 , Edited by admin on Sat Dec 16 15:55:43 UTC 2023
PRIMARY
CAS
171039-00-2
Created by admin on Sat Dec 16 15:55:43 UTC 2023 , Edited by admin on Sat Dec 16 15:55:43 UTC 2023
PRIMARY
FDA UNII
4YF9V91KCR
Created by admin on Sat Dec 16 15:55:43 UTC 2023 , Edited by admin on Sat Dec 16 15:55:43 UTC 2023
PRIMARY
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