Methyl 3-oxo-4-aza-5alpha-androst-1-ene-17beta-carboxylate
Modify Date: 2026-09-01 11:35:12
Methyl 3-oxo-4-aza-5alpha-androst-1-ene-17beta-carboxylate structure
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Common Name | Methyl 3-oxo-4-aza-5alpha-androst-1-ene-17beta-carboxylate | ||
|---|---|---|---|---|
| CAS Number | 103335-41-7 | Molecular Weight | 331.449 | |
| Density | 1.1±0.1 g/cm3 | Boiling Point | 478.6±45.0 °C at 760 mmHg | |
| Molecular Formula | C20H29NO3 | Melting Point | 280-282ºC (dec.) | |
| MSDS | N/A | Flash Point | 243.3±28.7 °C | |
| Name | methyl (1S,3aS,3bS,5aR,9aR,9bS,11aS)-9a,11a-dimethyl-7-oxo-1,2,3,3a,3b,4,5,5a,6,9b,10,11-dodecahydroindeno[5,4-f]quinoline-1-carboxylate |
|---|---|
| Synonym | More Synonyms |
| Density | 1.1±0.1 g/cm3 |
|---|---|
| Boiling Point | 478.6±45.0 °C at 760 mmHg |
| Melting Point | 280-282ºC (dec.) |
| Molecular Formula | C20H29NO3 |
| Molecular Weight | 331.449 |
| Flash Point | 243.3±28.7 °C |
| Exact Mass | 331.214752 |
| PSA | 55.40000 |
| LogP | 3.24 |
| Vapour Pressure | 0.0±1.2 mmHg at 25°C |
| Index of Refraction | 1.525 |
| InChIKey | WMSQGMYJYBSBKA-ALHYADCGSA-N |
| SMILES | COC(=O)C1CCC2C3CCC4NC(=O)C=CC4(C)C3CCC12C |
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Methyl 3-oxo-4-... CAS#:103335-41-7 |
| Literature: Journal of the American Chemical Society, , vol. 110, # 10 p. 3318 - 3319 |
![methyl (1S,5aR,9aR,11aS)-9a,11a-dimethyl-7-oxo-1,2,3,3a,3b,4,5,5a,6,8,9,9b,10,11-tetradecahydroindeno[5,4-f]quinoline-1-carboxylate structure](https://image.chemsrc.com/caspic/129/73671-92-8.png)
| Precursor 1 | |
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| DownStream 2 | |
CAS#:98319-26-7
CAS#:104239-97-6|
Name: Ratio of IC50 to that of 10x compound against Steroid 5-alpha-reductase
Source: ChEMBL
Target: 3-oxo-5-alpha-steroid 4-dehydrogenase 2
External Id: CHEMBL814228
|
|
Name: Inhibition of human 5 alpha reductase assessed as -log of ratio of IC50 of drug to th...
Source: ChEMBL
Target: N/A
External Id: CHEMBL1040545
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|
Name: In vitro antagonist activity against rat prostatic androgen receptor (AR)
Source: ChEMBL
Target: Androgen receptor
External Id: CHEMBL652259
|
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1
| Methyl 4-aza-5alpha-Androsta-1-en-3-one-17beta-Carboxylate |
| Methyl 3-oxo-4-aza-5a-androst-1-ene-17beta-carboxylate |
| Methyl 4-aza-5a-Androsta-1-en-3-one-17b-Carboxylate |
| 3-Oxo-4-aza-5Alpha-Alphandrost-1-ene-17Beta-carboxylic Acid Methyl Ester |
| (4aR,4bS,6aS,7S,9aS,9bS,11aR)-methyl 4a,6a-dimethyl-2-oxo-2,4a,4b,5,6,6a,7,8,9,9a,9b,10,11,11a-tetradecahydro-1H-indeno[5,4-f]quinoline-7-carboxylate |
| Methyl (4aR,4bS,6aS,7S,9aS,9bS,11aR)-4a,6a-dimethyl-2-oxo-2,4a,4b,5,6,6a,7,8,9,9a,9b,10,11,11a-tetradecahydro-1H-indeno[5,4-f]quinoline-7-carboxylate |
| Methyl 3-oxo-4-aza-5alpha-androst-1-ene-17beta-carboxylate |
| Dutasteride Impurity 3 |