Benzaprinoxide
Basic information
- CAS
52758-02-8- Standard SMILES
C[N+](C)([O-])CCC=C1c2ccccc2C=Cc2c(Cl)cccc21- InChIKey
CMPHKNLTWCBULI-UHFFFAOYSA-N- Molecular formula
- C20H20ClNO
- Average molar mass
- 325.8 g/mol
- Monoisotopic mass
- 325.123342
Names & identifiers
- Preferred name
- Benzaprinoxide
- IUPAC
- 3-(7-chloro-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaenylidene)-N,N-dimethylpropan-1-amine oxide
- English name
- Benzaprinoxide
- Molecular formula
- C20H20ClNO
- Molecular weight
- 325.83
Names & synonyms
Benzaprinoxide52758-02-8Benzaprinoxidum8J11WBM781DTXSID90866278benzaprinoxido1-Propanamine, 3-(1-chloro-5H-dibenzo(a,d)cyclohepten-5-ylidene)-N,N-dimethyl-, N-oxideRefChem:117170DTXCID10814579Ro 8-02543-(1-chloro-5H-dibenzo(a,d)cyclohepten-5-ylidene)-N,N-dimethylpropylamine-N-oxide.HClBenzaprinoxide [INN]
Show more names
3-(1-Chloro-5H-dibenzo[a,d]cyclohepten-5-ylidene)-N,N-dimethyl-1-propanamine N-oxide1-Propanamine, 3-(1-chloro-5H-dibenzo[a,d]cyclohepten-5-ylidene)-N,N-dimethyl-, N-oxide
3-(7-chloro-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaenylidene)-N,N-dimethylpropan-1-amine oxideBenzaprinoxidaBenzaprinoxida [INN-Spanish]Benzaprinoxidum [INN-Latin]UNII-8J11WBM781NS00120742Q272706071-Chloro-N,N-dimethyl-5H-dibenzo(a,d)cycloheptene-delta(sup 5,gamma)-propylamine N-oxide
Database identifiers
- CAS
52758-02-8- PubChem CID
- 68694
- DTXSID
DTXSID90866278- ChEMBL
CHEMBL2106062- UNII
- 8J11WBM781
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 18.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 470
Physicochemical properties
- pka
- 4.668 · 4.668±0.40(predicted)
- FDA UNII
- 8 J11WBM781 · 8J11WBM781
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…