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Basic information
- Standard SMILES
Cl.Clc1ccc2c(c1)N(C[C@H]1CCCN1CCc1ccc3c(c1)OCO3)c1ccccc1CO2- InChIKey
BVUXPUVJDVKHDP-VZYDHVRKSA-N- Molecular formula
- C27H28Cl2N2O3
- Average molar mass
- 499.4 g/mol
- Monoisotopic mass
- 498.1476981
Names & identifiers
- Preferred name
- (R)-7-Chloro-5,11-dihydro-5-[1-(3,4-methylenedioxyphenethyl)pyrrolidin-2-ylmethyl]dibenzo[b,e][1,4]oxazepine hydrochloride
- IUPAC
- 11-[[(2R)-1-[2-(1,3-benzodioxol-5-yl)ethyl]pyrrolidin-2-yl]methyl]-2-chloro-6H-benzo[c][1,5]benzoxazepine;hydrochloride
Names & synonyms
SCHEMBL4810906BVUXPUVJDVKHDP-VZYDHVRKSA-N(R)-7-Chloro-5,11-dihydro-5-[1-(3,4-methylenedioxyphenethyl)pyrrolidin-2-ylmethyl]dibenzo[b,e][1,4]oxazepine hydrochloride
Database identifiers
- PubChem CID
- 69200328
Properties
Computed structural propertiesFilling in
- Topological polar surface area
- 34.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 653
Related reactions
1 records
Compound notes
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