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Details

Stereochemistry ABSOLUTE
Molecular Formula C8H10FN3O4
Molecular Weight 231.1814
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4-AMINO-5-FLUORO-1-((2S,4S)-2-(HYDROXYMETHYL)-1,3-DIOXOLAN-4-YL)PYRIMIDIN-2(1H)-ONE

SMILES

c1c(c(=N)nc(n1[C@]2([H])CO[C@]([H])(CO)O2)O)F

InChI

InChIKey=RJKXXGNCKMQXTH-WDSKDSINSA-N
InChI=1S/C8H10FN3O4/c9-4-1-12(8(14)11-7(4)10)5-3-15-6(2-13)16-5/h1,5-6,13H,2-3H2,(H2,10,11,14)/t5-,6-/m0/s1

HIDE SMILES / InChI

Molecular Formula C8H10FN3O4
Molecular Weight 231.1814
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 Jun 26 04:08:41 UTC 2021
Edited
by admin
on Sat Jun 26 04:08:41 UTC 2021
Record UNII
RQ3X62U8VM
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
4-AMINO-5-FLUORO-1-((2S,4S)-2-(HYDROXYMETHYL)-1,3-DIOXOLAN-4-YL)PYRIMIDIN-2(1H)-ONE
Systematic Name English
2(1H)-PYRIMIDINONE, 4-AMINO-5-FLUORO-1-(2-(HYDROXYMETHYL)-1,3-DIOXOLAN-4-YL)-, (2S-CIS)-
Systematic Name English
EMTRICITABINE IMPURITY J [WHO-IP]
Common Name English
Code System Code Type Description
FDA UNII
RQ3X62U8VM
Created by admin on Sat Jun 26 04:08:41 UTC 2021 , Edited by admin on Sat Jun 26 04:08:41 UTC 2021
PRIMARY
PUBCHEM
477194
Created by admin on Sat Jun 26 04:08:41 UTC 2021 , Edited by admin on Sat Jun 26 04:08:41 UTC 2021
PRIMARY
EPA CompTox
145397-26-8
Created by admin on Sat Jun 26 04:08:41 UTC 2021 , Edited by admin on Sat Jun 26 04:08:41 UTC 2021
PRIMARY
CAS
145397-26-8
Created by admin on Sat Jun 26 04:08:41 UTC 2021 , Edited by admin on Sat Jun 26 04:08:41 UTC 2021
PRIMARY
Related Record Type Details
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