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Details

Stereochemistry ABSOLUTE
Molecular Formula C17H16N2O5
Molecular Weight 328.3193
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1-(5-O-benzoyl-2,3-dideoxy-β-D-glycero-pent-2-enofuranosyl)-5-methylpyrimidine-2,4(1H,3H)-dione

SMILES

CC1=CN([C@@H]2O[C@H](COC(=O)C3=CC=CC=C3)C=C2)C(=O)NC1=O

InChI

InChIKey=BKZQWZPYZIYYAQ-UONOGXRCSA-N
InChI=1S/C17H16N2O5/c1-11-9-19(17(22)18-15(11)20)14-8-7-13(24-14)10-23-16(21)12-5-3-2-4-6-12/h2-9,13-14H,10H2,1H3,(H,18,20,22)/t13-,14+/m0/s1

HIDE SMILES / InChI

Molecular Formula C17H16N2O5
Molecular Weight 328.3193
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Patents
Substance Class Chemical
Created
by admin
on Sat Dec 16 19:28:24 GMT 2023
Edited
by admin
on Sat Dec 16 19:28:24 GMT 2023
Record UNII
VKZ4492GHU
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1-(5-O-benzoyl-2,3-dideoxy-β-D-glycero-pent-2-enofuranosyl)-5-methylpyrimidine-2,4(1H,3H)-dione
Systematic Name English
Stavudine impurity I [EP IMPURITY]
Common Name English
((2S,5R)-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-2,5-dihydrofuran-2-yl)methyl benzoate
Systematic Name English
Code System Code Type Description
FDA UNII
VKZ4492GHU
Created by admin on Sat Dec 16 19:28:24 GMT 2023 , Edited by admin on Sat Dec 16 19:28:24 GMT 2023
PRIMARY
PUBCHEM
452583
Created by admin on Sat Dec 16 19:28:24 GMT 2023 , Edited by admin on Sat Dec 16 19:28:24 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> IMPURITY