Gapona
Basic information
- CAS
77416-70-7- Standard SMILES
CN(C)CCCOC1(Cc2ccccc2)CCCCCC1.C[N+]1(C)C2CCC1CC(OC(=O)C1c3ccccc3Oc3ccccc31)C2.[Br-]- InChIKey
ILCGVXSFEKMTCJ-UHFFFAOYSA-M- Molecular formula
- C42H57BrN2O4
- Average molar mass
- 733.8 g/mol
- Monoisotopic mass
- 732.35017
Overview
contains Gastrixon & Halidor
Names & identifiers
- Preferred name
- Gapona
- IUPAC
- 3-(1-benzylcycloheptyl)oxy-N,N-dimethylpropan-1-amine;(8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl) 9H-xanthene-9-carboxylate;bromide
Names & synonyms
Gapona77416-70-78-Azoniabicyclo(3.2.1)octane, 8,8-dimethyl-3-((9H-xanthen-9-ylcarbonyl)oxy)-, bromide, endo-, mixt. with N,N-dimethyl-3-((1-(phenylmethyl)cycloheptyl)oxy)-1-propanamineRefChem:142622DTXSID809986333-(1-benzylcycloheptyl)oxy-N,N-dimethylpropan-1-amine;(8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl) 9H-xanthene-9-carboxylate;bromide8,8-Dimethyl-3-[(9H-xanthene-9-carbonyl)oxy]-8-azabicyclo[3.2.1]octan-8-ium bromide--3-[(1-benzylcycloheptyl)oxy]-N,N-dimethylpropan-1-amine (1/1/1)
Database identifiers
- CAS
77416-70-7- PubChem CID
- 192111
- DTXSID
DTXSID80998633
Properties
Computed structural properties
- Topological polar surface area
- 48 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 10
- Heavy atoms
- 49
- Formal charge
- 0
- Complexity
- 801
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Related reactions
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Compound notes
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