Basic information
- CAS
87395-65-1- Standard SMILES
O=C(OC1CN2CCC1CC2)C1c2ccccc2CCc2ccccc21- InChIKey
DYANBEYXYZKCOS-UHFFFAOYSA-N- Molecular formula
- C23H25NO2
- Average molar mass
- 347.4 g/mol
- Monoisotopic mass
- 347.18852904
Names & identifiers
- Preferred name
- 5H-Dibenzo(a,d)cycloheptene-5-carboxylic acid, 10,11-dihydro-, 3-quinuclidinyl ester, (+-)-
- IUPAC
- 1-azabicyclo[2.2.2]octan-3-yl tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene-2-carboxylate
- English name
- 10,11-Dihydro-5H-dibenzo[a,d]cycloheptene-5-carboxylic acid quinuclidin-3-yl ester
- Molecular weight
- 0
Names & synonyms
BRN 140113787395-65-1(+-)-10,11-Dihydro-5H-dibenzo(a,d)cycloheptene-5-carboxylic acid 3-quinuclidinyl ester5H-Dibenzo(a,d)cycloheptene-5-carboxylic acid, 10,11-dihydro-, 3-quinuclidinyl ester, (+-)-RefChem:305580CHEMBL299547DTXSID7010075351-Azabicyclo[2.2.2]octan-3-yl 10,11-dihydro-5H-dibenzo[a,d][7]annulene-5-carboxylate10,11-Dihydro-5H-dibenzo[a,d]cycloheptene-5-carboxylic acid quinuclidin-3-yl ester
Database identifiers
- CAS
87395-65-1- PubChem CID
- 55692
- DTXSID
DTXSID701007535- ChEMBL
CHEMBL299547- Nikkaji
- J74.756D
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 488
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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