Finasteride
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- Concentration
- 5 mg per mL
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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 |
PubChem LCSS | Finasteride Laboratory Chemical Safety Summary |
Property | Property Value |
---|---|
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 |
Generated by Extreme Peptide with Open Babel, version 2.3.1, http://openbabel.org (accessed May 20, 2024)
Interactive 3D representation of Finasteride (CID 57363)
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