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Details

Stereochemistry RACEMIC
Molecular Formula C8H10FN3O3S
Molecular Weight 247.247
Optical Activity ( + / - )
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4-Amino-5-fluoro-1-[(2RS,5RS)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]-2(1H)-pyrimidinone

SMILES

NC1=NC(=O)N(C=C1F)[C@H]2CS[C@H](CO)O2

InChI

InChIKey=XQSPYNMVSIKCOC-PHDIDXHHSA-N
InChI=1S/C8H10FN3O3S/c9-4-1-12(8(14)11-7(4)10)5-3-16-6(2-13)15-5/h1,5-6,13H,2-3H2,(H2,10,11,14)/t5-,6-/m1/s1

HIDE SMILES / InChI

Molecular Formula C8H10FN3O3S
Molecular Weight 247.247
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 11:10:15 GMT 2023
Edited
by admin
on Sat Dec 16 11:10:15 GMT 2023
Record UNII
3F3F7L71JJ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
4-Amino-5-fluoro-1-[(2RS,5RS)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]-2(1H)-pyrimidinone
Systematic Name English
RACEMIC TRANS-EMTRICITABINE [WHO-IP]
Common Name English
2(1H)-Pyrimidinone, 4-amino-5-fluoro-1-[(2R,5R)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]-, rel-
Systematic Name English
rel-4-Amino-5-fluoro-1-[(2R,5R)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]-2(1H)-pyrimidinone
Systematic Name English
2(1H)-Pyrimidinone, 4-amino-5-fluoro-1-[2-(hydroxymethyl)-1,3-oxathiolan-5-yl]-, trans-(±)-
Systematic Name English
Code System Code Type Description
FDA UNII
3F3F7L71JJ
Created by admin on Sat Dec 16 11:10:15 GMT 2023 , Edited by admin on Sat Dec 16 11:10:15 GMT 2023
PRIMARY
PUBCHEM
454519
Created by admin on Sat Dec 16 11:10:15 GMT 2023 , Edited by admin on Sat Dec 16 11:10:15 GMT 2023
PRIMARY
CAS
146726-77-4
Created by admin on Sat Dec 16 11:10:15 GMT 2023 , Edited by admin on Sat Dec 16 11:10:15 GMT 2023
PRIMARY
Related Record Type Details
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