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

Details

Stereochemistry RACEMIC
Molecular Formula C8H10N2O4S
Molecular Weight 230.241
Optical Activity ( + / - )
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1-((2RS,5SR)-2-(HYDROXYMETHYL)-1,3-OXATHIOLAN-5-YL)URACIL

SMILES

OC[C@@H]1O[C@@H](CS1)N2C=CC(=O)NC2=O

InChI

InChIKey=BNVOMPQTQUUYHU-NKWVEPMBSA-N
InChI=1S/C8H10N2O4S/c11-3-7-14-6(4-15-7)10-2-1-5(12)9-8(10)13/h1-2,6-7,11H,3-4H2,(H,9,12,13)/t6-,7+/m0/s1

HIDE SMILES / InChI

Molecular Formula C8H10N2O4S
Molecular Weight 230.241
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 18:40:22 GMT 2023
Edited
by admin
on Sat Dec 16 18:40:22 GMT 2023
Record UNII
ASC6Q46BYT
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1-((2RS,5SR)-2-(HYDROXYMETHYL)-1,3-OXATHIOLAN-5-YL)URACIL
Systematic Name English
LAMIVUDINE-URACIL DERIVATIVE
Common Name English
3TU
Common Name English
2,4(1H,3H)-PYRIMIDINEDIONE, 1-(2-(HYDROXYMETHYL)-1,3-OXATHIOLAN-5-YL)-, CIS-
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID50927071
Created by admin on Sat Dec 16 18:40:22 GMT 2023 , Edited by admin on Sat Dec 16 18:40:22 GMT 2023
PRIMARY
PUBCHEM
454506
Created by admin on Sat Dec 16 18:40:22 GMT 2023 , Edited by admin on Sat Dec 16 18:40:22 GMT 2023
PRIMARY
FDA UNII
ASC6Q46BYT
Created by admin on Sat Dec 16 18:40:22 GMT 2023 , Edited by admin on Sat Dec 16 18:40:22 GMT 2023
PRIMARY
CAS
131086-26-5
Created by admin on Sat Dec 16 18:40:22 GMT 2023 , Edited by admin on Sat Dec 16 18:40:22 GMT 2023
PRIMARY