Basic information
- CAS
143106-84-7- Standard SMILES
CC(=O)CCN(CCC(=O)c1ccccc1)CC1(C)CCCC2(C)c3ccc(C(C)C)cc3CCC12.Cl- InChIKey
NPMDWVGRYBJTDQ-UHFFFAOYSA-N- Molecular formula
- C33H46ClNO2
- Average molar mass
- 524.2 g/mol
- Monoisotopic mass
- 523.3217074
Names & identifiers
- Preferred name
- 2-Butanone, 4-((((1R,4aS,10aR)-1,2,3,4,4a,9,10,10a-octahydro-1,4a-dimethyl-7-(1-methylethyl)-1-phenanthrenyl)methyl)(3-oxo-3-phenylpropyl)amino)-, hydrochloride (1:1)
- IUPAC
- 4-[(1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthren-1-yl)methyl-(3-oxo-3-phenylpropyl)amino]butan-2-one;hydrochloride
Names & synonyms
143106-84-72-Butanone, 4-((((1R,4aS,10aR)-1,2,3,4,4a,9,10,10a-octahydro-1,4a-dimethyl-7-(1-methylethyl)-1-phenanthrenyl)methyl)(3-oxo-3-phenylpropyl)amino)-, hydrochloride (1:1)2-Butanone, 4-(((1,2,3,4,4a,9,10,10a-octahydro-1,4a-dimethyl-7-(1-methylethyl)-1-phenanthrenyl)methyl)(3-oxo-3-phenylpropyl)amino)-, hydrochloride, (1R-(1alpha,4abeta,10aalpha))-2-Butanone, 4-[[[(1R,4aS,10aR)-1,2,3,4,4a,9,10,10a-octahydro-1,4a-dimethyl-7-(1-methylethyl)-1-phenanthrenyl]methyl](3-oxo-3-phenylpropyl)amino]-, hydrochloride (1:1)4-((((1R,4aS,10aS)-1,4a-dimethyl-7-(propan-2-yl)-1,2,3,4,4a,9,10,10a-octahydrophenanthren-1-yl)methyl)(3-oxo-3-phenylpropyl)amino)butan-2-one hydrochloride4-({[(1R,4aS,10aS)-1,4a-dimethyl-7-(propan-2-yl)-1,2,3,4,4a,9,10,10a-octahydrophenanthren-1-yl]methyl}(3-oxo-3-phenylpropyl)amino)butan-2-one hydrochlorideRefChem:85935604-330-12-Butanone, 4-((((1R,4aS,10aR)-1,2,3,4,4a,9,10,10a-octahydro-1,4a-dimethyl-7-(1-methylethyl)-1-phenanthrenyl)methyl)(3-oxo-3-phenylpropyl)amino)-, hydrochlorideNPMDWVGRYBJTDQ-UHFFFAOYSA-N4-[(1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthren-1-yl)methyl-(3-oxo-3-phenylpropyl)amino]butan-2-one;hydrochloride
Properties
Computed structural properties
- Topological polar surface area
- 37.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 10
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 755
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Regulatory Information
2-Butanone, 4-(1R,4aS,10aR)-1,2,3,4,4a,9,10,10a-octahydro-1,4a-dimethyl-7-(1-methylethyl)-1-phenanthrenylmethyl(3-oxo-3-phenylpropyl)amino-, hydrochloride: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Chemistry & industry
Uses & manufacturing
General Manufacturing Information2-Butanone, 4-[[[(1R,4aS,10aR)-1,2,3,4,4a,9,10,10a-octahydro-1,4a-dimethyl-7-(1-methylethyl)-1-phenanthrenyl]methyl](3-oxo-3-phenylpropyl)amino]-, hydrochloride (1:1): ACTIVE
Related reactions
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Compound notes
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