Basic information
- CAS
76207-50-6- Standard SMILES
CCCC[N+]1(C)C2CC(OC(=O)C(CO)c3ccccc3)CC1C1OC12.CCCN(CCC)C(=O)C(CCC(=O)O)NC(=O)c1ccccc1.[Br-]- InChIKey
MYQNKJJUYRRVPC-UHFFFAOYSA-M- Molecular formula
- C39H56BrN3O8
- Average molar mass
- 774.8 g/mol
- Monoisotopic mass
- 773.32508
Names & identifiers
- Preferred name
- Butylscopolamine bromide/Proglumide
- IUPAC
- 4-benzamido-5-(dipropylamino)-5-oxopentanoic acid;(9-butyl-9-methyl-3-oxa-9-azoniatricyclo[3.3.1.02,4]nonan-7-yl) 3-hydroxy-2-phenylpropanoate;bromide
Names & synonyms
CR 242 BButylscopolamine bromide / Proglumide3-Oxa-9-azoniatricyclo(3.3.1.0(2,4))nonane, 9-butyl-7-(3-hydroxy-1-oxo-2-phenylpropoxy)-9-methyl-, bromide, (7(S)-(1alpha,2beta,4beta,5alpha,7beta))-, mixt. with (+-)-4-(benzoylamino)-5-(dipropylamino)-5-oxopentanoic acid
Database identifiers
- CAS
76207-50-6- PubChem CID
- 192065
Properties
Computed structural properties
- Topological polar surface area
- 146 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 18
- Heavy atoms
- 51
- Formal charge
- 0
- Complexity
- 913
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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