Stenoptin
Basic information
- CAS
79057-87-7- Standard SMILES
COc1ccc(CCN(C)CCCC(C#N)(c2ccc(OC)c(OC)c2)C(C)C)cc1OC.Cl.O=[N+]([O-])O[C@H]1CO[C@H]2[C@@H]1OC[C@H]2O[N+](=O)[O-]- InChIKey
GJYDWOLOBZYYJC-SADXPQEKSA-N- Molecular formula
- C33H47ClN4O12
- Average molar mass
- 727.2 g/mol
- Monoisotopic mass
- 726.2879006
Names & identifiers
- Preferred name
- Stenoptin
- IUPAC
- [(3S,3aS,6R,6aS)-3-nitrooxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] nitrate;2-(3,4-dimethoxyphenyl)-5-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-2-propan-2-ylpentanenitrile;hydrochloride
Names & synonyms
Stenoptin79057-87-7D-Glucitol, 1,4-3,6-dianhydro-, dinitrate, mixt. with alpha-(3-((2-(3,4-dimethoxyphenyl)ethyl)methylamino)propyl)-3,4-dimethoxy-alpha-(1-methylethyl)benzeneacetonitrile monohydrochlorideRefChem:185552
Database identifiers
- CAS
79057-87-7- PubChem CID
- 129010926
Properties
Computed structural properties
- Topological polar surface area
- 193 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 14
- Rotatable bonds
- 15
- Heavy atoms
- 50
- Formal charge
- 0
- Complexity
- 874
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Compound notes
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