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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
Names and Synonyms:
Finasteride
(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
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)-
4-Azaandrost-1-ene-17-carboxamide, N-(1,1-dimethylethyl)-3-oxo-, (5α,17β)-
MK 906
Finasteride
Proscar
Prostide
Propecia
Finpecia
Finastid
Chibro-Proscar
Fincar
Fistide
Finax
Finast
Finara
Prosteride
N-(tert-Butyl)-3-oxo-4-aza-5α-androst-1-ene-17-carboxamide
Finalo
Geffina
Appecia
Finasterid Alternova
Identifiers:
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:
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
Key Properties
Melting Point
252-254 °C
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 372.55 g/mol | CAS Common Chemistry |
| 372.55300000000017 g/mol | RDKit | |
| 372.277678392 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 |
| Molar Refractivity | 110.68460000000006 | RDKit |
