Basic information
- CAS
602-40-4- Standard SMILES
CN1[C@@H]2CC[C@H]1CC(OC(=O)C1c3ccccc3CCc3ccccc31)C2- InChIKey
NAWCPJNPSJBJGQ-PMOLBWCYSA-N- Molecular formula
- C24H27NO2
- Average molar mass
- 361.5 g/mol
- Monoisotopic mass
- 361.2041791
Names & identifiers
- Preferred name
- Cyheptropine
- IUPAC
- [(1R,5S)-8-methyl-8-azabicyclo[3.2.1]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 (1R,5S)-tropan-3α-yl ester
- Molecular formula
- C24H27NO2
- Molecular weight
- 361.48
Names & synonyms
CyheptropineCiheptropinaCyheptropine [INN]602-40-4WN39J7F617Cyheptropinum10,11-Dihydro-5H-dibenzo(a,d)cycloheptene-5-carboxylic acid tropine esterCyheptropinum [INN-Latin]Ciheptropina [INN-Spanish]UNII-WN39J7F617BS 7042SCHEMBL2108943
Show more names
10,11-Dihydro-5H-dibenzo[a,d]cycloheptene-5-carboxylic acid (1R,5S)-tropan-3α-yl ester5H-Dibenzo[a,d]cycloheptene-5-carboxylic acid, 10,11-dihydro-, (3-endo)-8-methyl-8-azabicyclo[3.2.1]oct-3-yl ester
CHEMBL2106091DTXSID101024242NS00123672Q272927285H-Dibenzo(a,d)cycloheptene-5-carboxylic acid, 10,11-dihydro-, 3alpha-tropanyl ester1alphaH,5alphaH-Tropan-3alpha-ol, 10,11-dihydro-5H-dibenzo(a,d)cycloheptene-5-carboxylate (ester)5H-Dibenzo(a,d)cycloheptene-5-carboxylic acid, 10,11-dihydro-, (3-endo)-8-methyl-8-azabicyclo(3.2.1)oct-3-yl ester5H-Dibenzo(a,d)cycloheptene-5-carboxylic acid, 10,11-dihydro-, 8-methyl-8-azabicyclo(3.2.1)oct-3-yl ester, endo-
Database identifiers
- CAS
602-40-4- PubChem CID
- 71509
- DTXSID
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 510
Physicochemical properties
- Boiling point
- 472.5 · 472.5±45.0 °C(Predicted)
- Density
- 1.2 · 1.20±0.1 g/cm3(Predicted)
- pka
- 9.98 · 9.98±0.40(Predicted)
- FDA UNII
- 39 J7F617 · WN39J7F617
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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