(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

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C19H19FN3O6
Molecular Weight	404.3691
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

Structure Search

SMILES

O[C@H]1[C@H](O)[C@H](O[C@H]([C@@H]1O)[N+]2=CN3[C@H](CCC3=C2)C4=C(F)C=C(C=C4)C#N)C(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	C19H19FN3O6
Molecular Weight	404.3691
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 `Wed Apr 02 07:08:10 GMT 2025` Edited by `admin` on `Wed Apr 02 07:08:10 GMT 2025`
Record UNII	ZU329P2EO0
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

OSILODROSTAT METABOLITE M16.5

Preferred Name

English

(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

Code System Code Type Description

PUBCHEM

154585100

Created by admin on Wed Apr 02 07:08:10 GMT 2025 , Edited by admin on Wed Apr 02 07:08:10 GMT 2025

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FDA UNII

ZU329P2EO0

Created by admin on Wed Apr 02 07:08:10 GMT 2025 , Edited by admin on Wed Apr 02 07:08:10 GMT 2025

PRIMARY

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