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Details

Stereochemistry ABSOLUTE
Molecular Formula C9H12FN3O3S.CH4O3S
Molecular Weight 357.379
Optical Activity UNSPECIFIED
Defined Stereocenters 4 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4-AMINO-1-(2-DEOXY-2-FLUORO-4-THIO-.BETA.-D-ARABINOFURANOSYL)-2(1H)-PYRIMIDINONE MESYLATE

SMILES

CS(O)(=O)=O.NC1=NC(=O)N(C=C1)[C@@H]2S[C@H](CO)[C@@H](O)[C@@H]2F

InChI

InChIKey=MODFTRASJRGKDA-NKCNMFRMSA-N
InChI=1S/C9H12FN3O3S.CH4O3S/c10-6-7(15)4(3-14)17-8(6)13-2-1-5(11)12-9(13)16;1-5(2,3)4/h1-2,4,6-8,14-15H,3H2,(H2,11,12,16);1H3,(H,2,3,4)/t4-,6+,7-,8-;/m1./s1

HIDE SMILES / InChI

Molecular Formula C9H12FN3O3S
Molecular Weight 261.273
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 4 / 4
E/Z Centers 0
Optical Activity UNSPECIFIED

Molecular Formula CH4O3S
Molecular Weight 96.106
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Tue Apr 01 17:02:09 GMT 2025
Edited
by admin
on Tue Apr 01 17:02:09 GMT 2025
Record UNII
V8156MK71T
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
4-AMINO-1-(2-DEOXY-2-FLUORO-4-THIO-.BETA.-D-ARABINOFURANOSYL)-2(1H)-PYRIMIDINONE MESYLATE
Common Name English
2(1H)-PYRIMIDINONE, 4-AMINO-1-(2-DEOXY-2-FLUORO-4-THIO-.BETA.-D-ARABINOFURANOSYL)-, METHANESULFONATE (1:1)
Preferred Name English
4'-THIO-FAC MESYLATE
Common Name English
Code System Code Type Description
FDA UNII
V8156MK71T
Created by admin on Tue Apr 01 17:02:09 GMT 2025 , Edited by admin on Tue Apr 01 17:02:09 GMT 2025
PRIMARY
CAS
1462260-99-6
Created by admin on Tue Apr 01 17:02:09 GMT 2025 , Edited by admin on Tue Apr 01 17:02:09 GMT 2025
PRIMARY
PUBCHEM
71767465
Created by admin on Tue Apr 01 17:02:09 GMT 2025 , Edited by admin on Tue Apr 01 17:02:09 GMT 2025
PRIMARY
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