3-beta-((10,11-Dihydro-5H-dibenzo(a,d)cyclohepten-5-yl)oxy)tropane fumarate
Basic information
- CAS
15620-20-9- Standard SMILES
CN1[C@@H]2CC[C@H]1CC(OC1c3ccccc3CCc3ccccc31)C2.O=C(O)/C=C/C(=O)O- InChIKey
RGELJYBIERATBN-QWCGVJKTSA-N- Molecular formula
- C27H31NO5
- Average molar mass
- 449.5 g/mol
- Monoisotopic mass
- 449.22022309
Names & identifiers
- Preferred name
- 3-beta-((10,11-Dihydro-5H-dibenzo(a,d)cyclohepten-5-yl)oxy)tropane fumarate
- IUPAC
- (E)-but-2-enedioic acid;(1R,5S)-8-methyl-3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyloxy)-8-azabicyclo[3.2.1]octane
Names & synonyms
3-beta-((10,11-Dihydro-5H-dibenzo(a,d)cyclohepten-5-yl)oxy)tropane fumarate1-alpha-H,5-alpha-H-Tropane, 3-beta-((10,11-dihydro-5H-dibenzo(a,d)cyclohepten-5-yl)oxy)-, fumarate (1:1)15620-20-9
Database identifiers
- CAS
15620-20-9- PubChem CID
- 6444682
Properties
Computed structural properties
- Topological polar surface area
- 87.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 546
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Compound notes
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