(r)-5,11-Dihydro-5-[1-(3-pyrrolidinophenethyl)pyrrolidin-2-ylmethyl]-dibenzo[b,e][1,4]oxazepine dihydrochloride
Basic information
- Standard SMILES
Cl.Cl.c1cc(CCN2CCC[C@@H]2CN2c3ccccc3COc3ccccc32)cc(N2CCCC2)c1- InChIKey
ALZCAVJTFUOKCM-KFSCGDPASA-N- Molecular formula
- C30H37Cl2N3O
- Average molar mass
- 526.5 g/mol
Names & identifiers
- Preferred name
- (r)-5,11-Dihydro-5-[1-(3-pyrrolidinophenethyl)pyrrolidin-2-ylmethyl]-dibenzo[b,e][1,4]oxazepine dihydrochloride
- IUPAC
- 11-[[(2R)-1-[2-(3-pyrrolidin-1-ylphenyl)ethyl]pyrrolidin-2-yl]methyl]-6H-benzo[c][1,5]benzoxazepine;dihydrochloride
Names & synonyms
SCHEMBL4812748ALZCAVJTFUOKCM-KFSCGDPASA-N(r)-5,11-dihydro-5-[1-(3-pyrrolidinophenethyl)pyrrolidin-2-ylmethyl]-dibenzo[b,e][1,4]oxazepine dihydrochloride
Database identifiers
- PubChem CID
- 69201019
Properties
Computed structural properties
- Topological polar surface area
- 19 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 637
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Related reactions
1 records
Compound notes
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