Testosteronyl 4-dimethylaminobutyrate
Basic information
- CAS
147072-42-2- Standard SMILES
CN(C)CCCC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C- InChIKey
WEYCGVCEXYZWLI-ZVOSZBHUSA-N- Molecular formula
- C25H39NO2
- Average molar mass
- 385.6 g/mol
- Monoisotopic mass
- 385.29807949
Overview
structure given in first source
Names & identifiers
- Preferred name
- Testosteronyl 4-dimethylaminobutyrate
- IUPAC
- (8S,9S,10R,13S,14S,17S)-17-[4-(dimethylamino)butanoyl]-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
- English name
- testosteronyl 4-dimethylaminobutyrate
- Molecular formula
- C25H39NO3
- Molecular weight
- 401.58
Names & synonyms
TSDABTestosteronyl 4-dimethylaminobutyrateTestosteronyl-4-dimethylaminobutyrate147072-42-2Androst-4-en-3-one, 17-(4-(dimethylamino)-1-oxobutoxy)-, (17beta)-RefChem:188344Androst-4-en-3-one, 17-(4-(dimethylamino)-1-oxobutyl)-, (17beta)-Androst-4-en-3-one, 17-[4-(dimethylamino)-1-oxobutoxy]-, (17β)- (9CI)
Database identifiers
- CAS
147072-42-2- PubChem CID
- 44149079
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 37.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 680
Physicochemical properties
- Boiling point
- 512.2 · 512.2±50.0 °C(Predicted)
- Density
- 1.09 · 1.09±0.1 g/cm3(Predicted)
- pka
- 9.37 · 9.37±0.28(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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