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Molecule
Finasteride
CAS: 98319-26-7 · C23H36N2O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 98319-26-7
- Molecular Formula
- C23H36N2O2
- Molecular Mass
- 372.55 g/mol
Identifiers
CAS Registry Number
98319-26-7
SMILES
CC(C)(C)N=C(O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4N=C(O)C=C[C@]4(C)[C@H]3CC[C@]12C
InChI Key
DBEPLOCGEIEOCV-WSBQPABSSA-N
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
Names and Synonyms
- Finasteride Common Name
- (4aR,4bS,6aS,7S,9aS,9bS,11aR)-N-(1,1-Dimethylethyl)-2,4a,4b,5,6,6a,7,8,9,9a,9b,10,11,11a-tetradecahydro-4a,6a-dimethyl-2-oxo-1H-indeno[5,4-f]quinoline-7-carboxamide Synonym
- 1H-Indeno[5,4-f]quinoline-7-carboxamide, N-(1,1-dimethylethyl)-2,4a,4b,5,6,6a,7,8,9,9a,9b,10,11,11a-tetradecahydro-4a,6a-dimethyl-2-oxo-, (4aR,4bS,6aS,7S,9aS,9bS,11aR)- Synonym
- 4-Azaandrost-1-ene-17-carboxamide, N-(1,1-dimethylethyl)-3-oxo-, (5α,17β)- Synonym
- MK 906 Synonym
- Finasteride Synonym
- Proscar Synonym
- Prostide Synonym
- Propecia Synonym
- Finpecia Synonym
- Finastid Synonym
- Chibro-Proscar Synonym
- Fincar Synonym
- Fistide Synonym
- Finax Synonym
- Finast Synonym
- Finara Synonym
- Prosteride Synonym
- N-(tert-Butyl)-3-oxo-4-aza-5α-androst-1-ene-17-carboxamide Synonym
- Finalo Synonym
- Geffina Synonym
- Appecia Synonym
- Finasterid Alternova Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 372.55 g/mol | CAS Common Chemistry |
| 372.55300000000017 g/mol | RDKit | |
| 372.553 g/mol | RDKit | |
| Canonical SMILES | O=C1C=CC2(C)C(N1)CCC3C2CCC4(C)C(C(=O)NC(C)(C)C)CCC34 | CAS Common Chemistry |
| 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 | CAS Common Chemistry |
| InChI Key | InChIKey=DBEPLOCGEIEOCV-WSBQPABSSA-N | CAS Common Chemistry |
| Melting Point | 252-254 °C | CAS Common Chemistry |
| Name | Finasteride | CAS Common Chemistry |
| Heavy Atom Count | 27 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 65.18 Ų | RDKit |
| LogP | 5.495100000000005 | RDKit |
| 5.4951 | RDKit | |
| 5.98 | chempirical lib | |
| Molar Refractivity | 110.68460000000006 cm³/mol | RDKit |
| Ring Count | 4 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.8261 | RDKit |
| 0.83 | chempirical lib | |
| Exact Mass | 372.277678392 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
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| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
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MW = 372.55 g/mol. Edit any field — others recompute live.
