Basic information
- CAS
105919-73-1- Standard SMILES
CCCCCOc1ccccc1NC(=O)OC(COC)CN1CCCCCC1- InChIKey
VVNITDZDOPJHAV-UHFFFAOYSA-N- Molecular formula
- C22H36N2O4
- Average molar mass
- 392.5 g/mol
- Monoisotopic mass
- 392.26750763
Overview
RN given refers to the parent compound
Names & identifiers
- Preferred name
- BK 129
- IUPAC
- [1-(azepan-1-yl)-3-methoxypropan-2-yl] N-(2-pentoxyphenyl)carbamate
- English name
- 2-Pentyloxycarbanilic acid 1-methoxymethyl-2-(1-perhydroazepinyl)ethyl ester hydrochloride
- Molecular formula
- C22H36N2O4
- Molecular weight
- 392.53
Names & synonyms
105919-73-1BK 129BK-129RefChem:120577Antiarrhythmic agent-2[1-(azepan-1-yl)-3-methoxypropan-2-yl] N-(2-pentoxyphenyl)carbamate2-(Hexahydro-1H-azepin-1-yl)-1-(methoxymethyl)ethyl (2-(pentyloxy)phenyl)carbamate2-Pentyloxycarbanilic acid 1-methoxymethyl-2-(1-perhydroazepinyl)ethyl ester hydrochlorideCarbamic acid, (2-(pentyloxy)phenyl)-, 2-(hexahydro-1H-azepin-1-yl)-1-(methoxymethyl)ethyl esterorb1701026SCHEMBL30727461DTXSID80909825
Show more names
Carbamic acid, [2-(pentyloxy)phenyl]-, 2-(hexahydro-1H-azepin-1-yl)-1-(methoxymethyl)ethyl ester (9CI)
AKOS040747993DA-60175HY-116072CS-0063721T268301-(Azepan-1-yl)-3-methoxypropan-2-yl hydrogen [2-(pentyloxy)phenyl]carbonimidate2-Pentyloxycarbanilic acid 1-methoxymethyl-2-(1-perhydroazepinyl)ethyl ester hydrochloride
Database identifiers
- CAS
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 60 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 12
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 413
Physicochemical properties
- Boiling point
- 485.9 · 485.9±45.0 °C(Predicted)
- Density
- 1.071 · 1.071±0.06 g/cm3(Predicted)
- pka
- 12.79 · 12.79±0.70(Predicted)
Chemistry & industry
Applications
UsesAntiarrhythmic agent-2 is a nonspecific Ca2+ inward current blocker that inhibits ionic currents in sensory neuron membranes. Antiarrhythmic agent-2 can be used in the study of cardiovascular diseases, such as arrhythmias[1].
Suppliers3 total
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
上海陶术生物科技股份有限公司13564774135 · [email protected]
TargetMol中国（陶术生物）15002134094 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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