Dibenz(c,f)azocine, 5,6,7,12-tetrahydro-6-(2-(1-pyrrolidinyl)ethyl)-, maleate (1:1)
Basic information
- CAS
18180-92-2- Standard SMILES
O=C(O)/C=C\C(=O)O.c1ccc2c(c1)Cc1ccccc1CN(CCN1CCCC1)C2- InChIKey
ZCLSQGVMUSFOQA-BTJKTKAUSA-N- Molecular formula
- C25H30N2O4
- Average molar mass
- 422.5 g/mol
- Monoisotopic mass
- 422.22055744
Names & identifiers
- Preferred name
- Dibenz(c,f)azocine, 5,6,7,12-tetrahydro-6-(2-(1-pyrrolidinyl)ethyl)-, maleate (1:1)
- IUPAC
- (Z)-but-2-enedioic acid;11-(2-pyrrolidin-1-ylethyl)-10,12-dihydro-5H-benzo[d][2]benzazocine
Names & synonyms
Dibenz(c,f)azocine, 5,6,7,12-tetrahydro-6-(2-(1-pyrrolidinyl)ethyl)-, maleate (1:1)18180-92-2RefChem:10832925,6,7,12-Tetrahydro-6-(2-(1-pyrrolidinyl)ethyl)-dibenz(c,f)azocine maleate
Database identifiers
- CAS
18180-92-2- PubChem CID
- 6444800
Properties
Computed structural properties
- Topological polar surface area
- 81.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 458
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