1-Benzoxepin-5-ol, 2,3,4,5-tetrahydro-8-chloro-5-phenyl-4-(1-piperidinylmethyl)-, hydrochloride, cis-(+-)-
Basic information
- CAS
37480-17-4- Standard SMILES
O[C@@]1(c2ccccc2)c2ccc(Cl)cc2OCCC1C[NH+]1CCCCC1.[Cl-]- InChIKey
YKNKWWBOSAFDPV-HDNPKDEKSA-N- Molecular formula
- C22H27Cl2NO2
- Average molar mass
- 408.4 g/mol
- Monoisotopic mass
- 407.1418845
Names & identifiers
- Preferred name
- 1-Benzoxepin-5-ol, 2,3,4,5-tetrahydro-8-chloro-5-phenyl-4-(1-piperidinylmethyl)-, hydrochloride, cis-(+-)-
- IUPAC
- (5S)-8-chloro-5-phenyl-4-(piperidin-1-ium-1-ylmethyl)-3,4-dihydro-2H-1-benzoxepin-5-ol chloride
Names & synonyms
(cis)-(+-)-2,3,4,5-Tetrahydro-8-chloro-5-phenyl-4-(1-piperidinylmethyl)-1-benzoxepin-5-ol HCl(cis)-(+-)-4-Piperidinomethyl-5-phenyl-8-chloro-2,3,4,5-tetrahydro-1-benzoxepin-5-ol HCl1-Benzoxepin-5-ol, 2,3,4,5-tetrahydro-8-chloro-5-phenyl-4-(1-piperidinylmethyl)-, hydrochloride, cis-(+-)-37480-17-4RefChem:227844
Database identifiers
- CAS
37480-17-4- PubChem CID
- 37746
Properties
Computed structural properties
- Topological polar surface area
- 33.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 449
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Compound notes
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