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Finasteride

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CID

57363

CAS

98319-26-7

InChI

InChI=1S/C23H36N2O2/c1-21(2, 3)25-20(27)17-8-7-15-14-6-9-18-23(5, 13-11-19(26)24-18)16(14)10-12-22(15, 17)4/h11, 13-18H, 6-10, 12H2, 1-5H3, (H, 24, 26)(H, 25, 27)/t14-, 15-, 16-, 17+, 18+, 22-, 23+/m0/s1

InChIKey

DBEPLOCGEIEOCV-WSBQPABSSA-N

Isomeric SMILES

C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2C(=O)NC(C)(C)C)CC[C@@H]4[C@@]3(C=CC(=O)N4)C

Canonical SMILES

CC12CCC3C(C1CCC2C(=O)NC(C)(C)C)CCC4C3(C=CC(=O)N4)C

IUPAC Name

(1S, 3aS, 3bS, 5aR, 9aR, 9bS, 11aS)-N-tert-butyl-9a, 11a-dimethyl-7-oxo-1, 2, 3, 3a, 3b, 4, 5, 5a, 6, 9b, 10, 11-dodecahydroindeno[5, 4-f]quinoline-1-carboxamide

Molecular Formula

C23H36N2O2

Molecular Weight

372.5

Monoisotopic Mass

372.277678395

Polar Area

58.2

Complexity

678

XLogP

3

Heavy Atom Count

27

Hydrogen Bond Donor Count

2

Hydrogen Bond Acceptor Count

2

Rotatable Bond Count

2

Physical Appearance

Clear Liquid

Stability

Room Temperature