Basic information
- CAS
37480-14-1- Standard SMILES
CC(=O)OC1c2ccc(Cl)cc2OCC[C@H]1C[NH+]1CCCCC1.[Cl-]- InChIKey
LZOUACBLHPVDAA-WVEXQUBRSA-N- Molecular formula
- C18H25Cl2NO3
- Average molar mass
- 374.3 g/mol
- Monoisotopic mass
- 373.121149
Names & identifiers
- Preferred name
- 1-Benzoxepin-5-ol, 2,3,4,5-tetrahydro-8-chloro-4-(1-piperidinylmethyl)-, acetate (ester), hydrochloride, trans-(+-)-
- IUPAC
- [(4S)-8-chloro-4-(piperidin-1-ium-1-ylmethyl)-2,3,4,5-tetrahydro-1-benzoxepin-5-yl] acetate chloride
Names & synonyms
trans-(+-)-4-Piperidinomethyl-5-acetoxy-8-chloro-2,3,4,5-tetrahydro-1-benzoxepin HCl1-Benzoxepin-5-ol, 2,3,4,5-tetrahydro-8-chloro-4-(1-piperidinylmethyl)-, acetate (ester), hydrochloride, trans-(+-)-37480-14-1RefChem:227842
Database identifiers
- CAS
37480-14-1- PubChem CID
- 37744
Properties
Computed structural properties
- Topological polar surface area
- 40 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 400
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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