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Details

Stereochemistry ABSOLUTE
Molecular Formula C19H19FN3O6
Molecular Weight 404.3698
Optical Activity UNSPECIFIED
Defined Stereocenters 6 / 6
E/Z Centers 0
Charge 1

SHOW SMILES / InChI
Structure of (2S,3S,4S,5R,6R)-6-((5R)-5-(4-CYANO-2-FLUORO-PHENYL)-6,7-DIHYDRO-5H-PYRROLO(1,2-C)IMIDAZOL-2-IUM-2-YL)-3,4,5-TRIHYDROXY-TETRAHYDROPYRAN-2-CARBOXYLIC ACID

SMILES

c1cc(c(cc1C#N)F)[C@@]2([H])CCc3c[n+](cn32)[C@@]4([H])[C@@]([H])([C@]([H])([C@@]([H])([C@@]([H])(C(=O)O)O4)O)O)O

InChI

InChIKey=IROWWJFJACYLGJ-CMURFVSUSA-O
InChI=1S/C19H18FN3O6/c20-12-5-9(6-21)1-3-11(12)13-4-2-10-7-22(8-23(10)13)18-16(26)14(24)15(25)17(29-18)19(27)28/h1,3,5,7-8,13-18,24-26H,2,4H2/p+1/t13-,14+,15+,16-,17+,18-/m1/s1

HIDE SMILES / InChI

Molecular Formula C19H20FN3O6
Molecular Weight 405.3777
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 6 / 6
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Jun 26 10:55:23 UTC 2021
Edited
by admin
on Sat Jun 26 10:55:23 UTC 2021
Record UNII
ZU329P2EO0
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
(2S,3S,4S,5R,6R)-6-((5R)-5-(4-CYANO-2-FLUORO-PHENYL)-6,7-DIHYDRO-5H-PYRROLO(1,2-C)IMIDAZOL-2-IUM-2-YL)-3,4,5-TRIHYDROXY-TETRAHYDROPYRAN-2-CARBOXYLIC ACID
Systematic Name English
OSILODROSTAT METABOLITE M16.5
Common Name English
Code System Code Type Description
PUBCHEM
154585100
Created by admin on Sat Jun 26 10:55:23 UTC 2021 , Edited by admin on Sat Jun 26 10:55:23 UTC 2021
PRIMARY
FDA UNII
ZU329P2EO0
Created by admin on Sat Jun 26 10:55:23 UTC 2021 , Edited by admin on Sat Jun 26 10:55:23 UTC 2021
PRIMARY
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