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Details

Stereochemistry ABSOLUTE
Molecular Formula C12H11F2N5O3
Molecular Weight 311.2442
Optical Activity UNSPECIFIED
Defined Stereocenters 4 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CL-197

SMILES

NC1=NC(F)=NC2=C1N=CN2[C@@H]3O[C@@](CO)(C#C)[C@@H](O)[C@@H]3F

InChI

InChIKey=CKOSILJGTGQALV-MPOXBOEASA-N
InChI=1S/C12H11F2N5O3/c1-2-12(3-20)7(21)5(13)10(22-12)19-4-16-6-8(15)17-11(14)18-9(6)19/h1,4-5,7,10,20-21H,3H2,(H2,15,17,18)/t5-,7-,10+,12+/m0/s1

HIDE SMILES / InChI

Molecular Formula C12H11F2N5O3
Molecular Weight 311.2442
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 4 / 4
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 20:07:17 UTC 2023
Edited
by admin
on Sat Dec 16 20:07:17 UTC 2023
Record UNII
MSD2KAY8XQ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CL-197
Code English
9-(2-Deoxy-4-C-ethynyl-2-fluoro-β-D-arabinofuranosyl)-2-fluoro-9H-purin-6-amine
Systematic Name English
9H-Purin-6-amine, 9-(2-deoxy-4-C-ethynyl-2-fluoro-β-D-arabinofuranosyl)-2-fluoro-
Systematic Name English
4′-Ethynyl-2′-deoxy-2′-β-fluoro-2-fluoroadenosine
Systematic Name English
2-Amino-2'-deoxy-2'-fluoro-4'-C-ethynylarabinoadenosine
Common Name English
Code System Code Type Description
CAS
1030595-07-3
Created by admin on Sat Dec 16 20:07:18 UTC 2023 , Edited by admin on Sat Dec 16 20:07:18 UTC 2023
PRIMARY
FDA UNII
MSD2KAY8XQ
Created by admin on Sat Dec 16 20:07:18 UTC 2023 , Edited by admin on Sat Dec 16 20:07:18 UTC 2023
PRIMARY
PUBCHEM
168442460
Created by admin on Sat Dec 16 20:07:18 UTC 2023 , Edited by admin on Sat Dec 16 20:07:18 UTC 2023
PRIMARY
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