Basic information
- CAS
51481-67-5- Standard SMILES
CNCCC=C1c2ccccc2C2CC2c2ccccc21.O=P(O)(O)O- InChIKey
VZQRTFPDLVFLMB-UHFFFAOYSA-N- Molecular formula
- C20H24NO4P
- Average molar mass
- 373.4 g/mol
- Monoisotopic mass
- 373.14429524
Overview
See also: Octriptyline Phosphate (annotation moved to).
Names & identifiers
- Preferred name
- Octriptyline phosphate
- IUPAC
- N-methyl-3-(11-tetracyclo[10.4.0.02,4.05,10]hexadeca-1(16),5,7,9,12,14-hexaenylidene)propan-1-amine;phosphoric acid
Names & synonyms
OCTRIPTYLINE PHOSPHATE51481-67-5SC-27123SC-27,123SCHEMBL121548CHEMBL2106786SCHEMBL29886514DTXSID60965808CID 40028D05231N-methyl-3-(11-tetracyclo[10.4.0.02,4.05,10]hexadeca-1(16),5,7,9,12,14-hexaenylidene)propan-1-amine;phosphoric acidPhosphoric acid--3-(1a,10b-dihydrodibenzo[a,e]cyclopropa[c][7]annulen-6(1H)-ylidene)-N-methylpropan-1-amine (1/1)
Database identifiers
- CAS
51481-67-5- PubChem CID
- 40028
- DTXSID
DTXSID60965808- ChEMBL
CHEMBL2106786
Properties
Computed structural properties
- Topological polar surface area
- 89.8 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 418
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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