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Details

Stereochemistry EPIMERIC
Molecular Formula C25H27ClN6O8
Molecular Weight 574.97
Optical Activity UNSPECIFIED
Defined Stereocenters 6 / 7
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DAROLUTAMIDE METABOLITE M-7A/B

SMILES

C[C@@H](CN1C=CC(=N1)C2=CC=C(C#N)C(Cl)=C2)NC(=O)C3=NNC(=C3)C(C)O[C@@H]4O[C@@H]([C@@H](O)[C@H](O)[C@H]4O)C(O)=O

InChI

InChIKey=OKBOLZCXQYZEGL-IVRNUPPQSA-N
InChI=1S/C25H27ClN6O8/c1-11(10-32-6-5-16(31-32)13-3-4-14(9-27)15(26)7-13)28-23(36)18-8-17(29-30-18)12(2)39-25-21(35)19(33)20(34)22(40-25)24(37)38/h3-8,11-12,19-22,25,33-35H,10H2,1-2H3,(H,28,36)(H,29,30)(H,37,38)/t11-,12?,19-,20-,21+,22-,25+/m0/s1

HIDE SMILES / InChI

Molecular Formula C25H27ClN6O8
Molecular Weight 574.97
Charge 0
Count
Stereochemistry EPIMERIC
Additional Stereochemistry No
Defined Stereocenters 6 / 7
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Thu Jul 06 23:34:54 UTC 2023
Edited
by admin
on Thu Jul 06 23:34:54 UTC 2023
Record UNII
QC2DK9NC2B
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
DAROLUTAMIDE METABOLITE M-7A/B
Common Name English
DAROLUTAMIDE O-GLUCURONIDE
Common Name English
(2S,3S,4S,5R,6R)-6-(1-(3-(((S)-1-(3-(3-chloro-4-cyanophenyl)-1H-pyrazol-1-yl)propan-2-yl)carbamoyl)-1H-pyrazol-5-yl)ethoxy)-3,4,5-trihydroxytetrahydro-2H-pyran-2-carboxylic acid
Systematic Name English
Code System Code Type Description
PUBCHEM
166451392
Created by admin on Thu Jul 06 23:34:55 UTC 2023 , Edited by admin on Thu Jul 06 23:34:55 UTC 2023
PRIMARY
FDA UNII
QC2DK9NC2B
Created by admin on Thu Jul 06 23:34:55 UTC 2023 , Edited by admin on Thu Jul 06 23:34:55 UTC 2023
PRIMARY
Related Record Type Details
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