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

Details

Stereochemistry ABSOLUTE
Molecular Formula C16H20N2O10
Molecular Weight 402.3299
Optical Activity UNSPECIFIED
Defined Stereocenters 7 / 7
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of STAVUDINE GLUCURONIDE, (C14)-

SMILES

CC1=CN([14C@@H]2O[C@H](CO[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(O)=O)C=C2)C(=O)NC1=O

InChI

InChIKey=OMYGFARMZNCWPN-ALYRXDNOSA-N
InChI=1S/C16H20N2O10/c1-6-4-18(16(25)17-13(6)22)8-3-2-7(27-8)5-26-15-11(21)9(19)10(20)12(28-15)14(23)24/h2-4,7-12,15,19-21H,5H2,1H3,(H,23,24)(H,17,22,25)/t7-,8+,9-,10-,11+,12-,15+/m0/s1/i8+2

HIDE SMILES / InChI

Molecular Formula C16H20N2O10
Molecular Weight 402.3299
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 7 / 7
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 18:59:52 GMT 2023
Edited
by admin
on Sat Dec 16 18:59:52 GMT 2023
Record UNII
H4L4BVR63G
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
STAVUDINE GLUCURONIDE, (C14)-
Common Name English
(2S,3S,4S,5R,6R)-3,4,5-TRIHYDROXY-6-(((2S,5R)-5-(5-METHYL-2,4-DIOXO-3,4-DIHYDROPYRIMIDIN-1(2H)-YL)-2,5-DIHYDROFURAN-2-YL-5-14C)METHOXY)TETRAHYDRO-2H-PYRAN-2-CARBOXYLIC ACID
Systematic Name English
Code System Code Type Description
CAS
1297329-88-4
Created by admin on Sat Dec 16 18:59:52 GMT 2023 , Edited by admin on Sat Dec 16 18:59:52 GMT 2023
PRIMARY
PUBCHEM
162623975
Created by admin on Sat Dec 16 18:59:52 GMT 2023 , Edited by admin on Sat Dec 16 18:59:52 GMT 2023
PRIMARY
FDA UNII
H4L4BVR63G
Created by admin on Sat Dec 16 18:59:52 GMT 2023 , Edited by admin on Sat Dec 16 18:59:52 GMT 2023
PRIMARY