Basic information
- CAS
67196-56-9- Standard SMILES
CC[NH+](CC)CCOC(=O)C1(O)c2ccccc2CCc2ccccc21.[Cl-]- InChIKey
QPSRJKRSGQILHY-UHFFFAOYSA-N- Molecular formula
- C22H28ClNO3
- Average molar mass
- 389.9 g/mol
- Monoisotopic mass
- 389.1757714
Names & identifiers
- Preferred name
- 5H-Dibenzo(a,d)cycloheptene-5-carboxylic acid, 10,11-dihydro-5-hydroxy-2-diethylaminoethyl ester, hydrochloride
- IUPAC
- diethyl-[2-(2-hydroxytricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene-2-carbonyl)oxyethyl]azanium chloride
Names & synonyms
2-Diethylaminoethyl 5-hydroxydibenzo(a,d)cycloheptadiene-5-carboxylate hydrochloride5H-Dibenzo(a,d)cycloheptene-5-carboxylic acid, 10,11-dihydro-5-hydroxy-2-diethylaminoethyl ester, hydrochloride67196-56-9RefChem:305584
Database identifiers
- CAS
67196-56-9- PubChem CID
- 49550
Properties
Computed structural properties
- Topological polar surface area
- 51 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 438
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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