5-Heptyn-2-one, 1-cyclobutyl-7-(dimethylamino)-1-hydroxy-1-phenyl-, hydrochloride, (-)-
Completing data — refresh the page later to see the latest
Basic information
- CAS
133151-46-9- Standard SMILES
CN(C)CC#CCCC(=O)C(O)(c1ccccc1)C1CCC1.Cl- InChIKey
HHNDPXLYTJTZSC-UHFFFAOYSA-N- Molecular formula
- C19H26ClNO2
- Average molar mass
- 335.9 g/mol
- Monoisotopic mass
- 335.1652068
Overview
structure given in first source; RN given is for (-)-HCl; muscarnic receptor antag
Names & identifiers
- Preferred name
- 5-Heptyn-2-one, 1-cyclobutyl-7-(dimethylamino)-1-hydroxy-1-phenyl-, hydrochloride, (-)-
- IUPAC
- 1-cyclobutyl-7-(dimethylamino)-1-hydroxy-1-phenylhept-5-yn-2-one;hydrochloride
- English name
- 1-cyclobutyl-7-(dimethylamino)-1-hydroxy-1-phenyl-5-heptyn-2-one
- Molecular weight
- 0
Names & synonyms
CDHO136722-55-91-Cyclobutyl-7-(dimethylamino)-1-hydroxy-1-phenyl-5-heptyn-2-one1-Cyclobutyl-1-hydroxy-1-phenyl-7-(N,N-dimethylamino)hept-5-yn-2-one5-Heptyn-2-one, 1-cyclobutyl-7-(dimethylamino)-1-hydroxy-1-phenyl-, hydrochloride, (-)-RefChem:913399MDL-201,012ENI4D82I4WUNII-ENI4D82I4WMDL-201012133151-46-95-Heptyn-2-one, 1-cyclobutyl-7-(dimethylamino)-1-hydroxy-1-phenyl-, hydrochloride (1:1)
Show more names
SCHEMBL9809457DTXSID709295171-cyclobutyl-7-(dimethylamino)-1-hydroxy-1-phenylhept-5-yn-2-one;hydrochloride(-)-1-Cyclobutyl-7-(dimethylamino)-1-hydroxy-1-phenyl-5-heptyn-2-one hydrochloride1-Cyclobutyl-7-(dimethylamino)-1-hydroxy-1-phenylhept-5-yn-2-one--hydrogen chloride (1/1)
Database identifiers
- CAS
133151-46-9、136722-55-9- PubChem CID
- 131986
- DTXSID
DTXSID70929517
Properties
Computed structural propertiesFilling in
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 435
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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