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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
MOL RATIO 1 MOL RATIO (average)
Stereochemistry EPIMERIC
Additional Stereochemistry No
Defined Stereocenters 6 / 7
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Record UNII
QC2DK9NC2B
Record Status Validated (UNII)
Record Version