Basic information
- CAS
85540-58-5- Standard SMILES
CC1=C(C(=O)OCCC[NH+](C)C)CC2(CCCC2)OC1=O.[Cl-]- InChIKey
GGSUOOJXTGGMFL-UHFFFAOYSA-N- Molecular formula
- C16H26ClNO4
- Average molar mass
- 331.8 g/mol
- Monoisotopic mass
- 331.155036
Names & identifiers
- Preferred name
- 1-Oxaspiro(4.5)dec-3-ene-4-carboxylic acid, 3-methyl-2-oxo-, 3-(dimethylamino)propyl ester, hydrochloride
- IUPAC
- dimethyl-[3-(8-methyl-7-oxo-6-oxaspiro[4.5]dec-8-ene-9-carbonyl)oxypropyl]azanium chloride
Names & synonyms
N-Dimethylaminopropyl oxycarbonyle-3 spirolactone chlorhydrate [French]1-Oxaspiro(4.5)dec-3-ene-4-carboxylic acid, 3-methyl-2-oxo-, 3-(dimethylamino)propyl ester, hydrochloride85540-58-5N-Dimethylaminopropyl oxycarbonyle-3 spirolactone chlorhydrateRefChem:232780
Database identifiers
- CAS
85540-58-5- PubChem CID
- 55366
Properties
Computed structural properties
- Topological polar surface area
- 57 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 447
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…