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

Details

Stereochemistry ABSOLUTE
Molecular Formula C20H24N4O8
Molecular Weight 448.4266
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of THYMIDINE, 2',3'-DIDEHYDRO-3'-DEOXY-5'-O-(1,2,5-TRIDEOXY-1-(3,4-DIHYDRO-5-METHYL-2,4-DIOXO-1(2H)-PYRIMIDINYL)-.BETA.-D-THREO-PENTOFURANOS-5-YL)-

SMILES

CC1=CN([C@H]2C[C@@H](O)[C@@H](COC[C@H]3O[C@H](C=C3)N4C=C(C)C(=O)NC4=O)O2)C(=O)NC1=O

InChI

InChIKey=JSGWXOMVVAJCJK-UYJHQMFVSA-N
InChI=1S/C20H24N4O8/c1-10-6-23(19(28)21-17(10)26)15-4-3-12(31-15)8-30-9-14-13(25)5-16(32-14)24-7-11(2)18(27)22-20(24)29/h3-4,6-7,12-16,25H,5,8-9H2,1-2H3,(H,21,26,28)(H,22,27,29)/t12-,13+,14+,15+,16+/m0/s1

HIDE SMILES / InChI

Molecular Formula C20H24N4O8
Molecular Weight 448.4266
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 5 / 5
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 15:13:27 UTC 2023
Edited
by admin
on Sat Dec 16 15:13:27 UTC 2023
Record UNII
E37QXU5N74
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
THYMIDINE, 2',3'-DIDEHYDRO-3'-DEOXY-5'-O-(1,2,5-TRIDEOXY-1-(3,4-DIHYDRO-5-METHYL-2,4-DIOXO-1(2H)-PYRIMIDINYL)-.BETA.-D-THREO-PENTOFURANOS-5-YL)-
Systematic Name English
STAVUDINE IMPURITY G [EP IMPURITY]
Common Name English
1-(2-DEOXY-5-O-(((2S,5R)-5-(5-METHYL-2,4-DIOXO-3,4-DIHYDROPYRIMIDINE-1(2H)-YL)-2,5-DIHYDROFURAN-2-YL)METHYL)-.BETA.-D-THREO-PENTOFURANOSYL)-5-METHYLPYRIMIDINE-2,4(1H,3H)-DIONE
Systematic Name English
Code System Code Type Description
PUBCHEM
155928776
Created by admin on Sat Dec 16 15:13:27 UTC 2023 , Edited by admin on Sat Dec 16 15:13:27 UTC 2023
PRIMARY
CAS
614756-53-5
Created by admin on Sat Dec 16 15:13:27 UTC 2023 , Edited by admin on Sat Dec 16 15:13:27 UTC 2023
PRIMARY
FDA UNII
E37QXU5N74
Created by admin on Sat Dec 16 15:13:27 UTC 2023 , Edited by admin on Sat Dec 16 15:13:27 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP