Basic information
- CAS
100700-33-2- Standard SMILES
CCC(OC1C2C=COC2C(OC)C2OC(C)=CC(=O)C12)C(=O)OCC[NH+]1CCCCC1.[Cl-]- InChIKey
PRJRTTRNZWALTL-UHFFFAOYSA-N- Molecular formula
- C24H36ClNO7
- Average molar mass
- 486 g/mol
- Monoisotopic mass
- 485.2180302
Names & identifiers
- Preferred name
- Butyric acid, 2-((9-methoxy-7-methyl-5-oxo-3a,4,4a,8a,9,9a-hexahydro-5H-furo(3,2-g)(1)benzopyran-4-yl)oxy)-, 2-piperidinoethyl ester, hydrochloride
- IUPAC
- 2-piperidin-1-ium-1-ylethyl 2-[(9-methoxy-7-methyl-5-oxo-3a,4,4a,8a,9,9a-hexahydrofuro[3,2-g]chromen-4-yl)oxy]butanoate chloride
Names & synonyms
100700-33-2Butyric acid, 2-((9-methoxy-7-methyl-5-oxo-3a,4,4a,8a,9,9a-hexahydro-5H-furo(3,2-g)(1)benzopyran-4-yl)oxy)-, 2-piperidinoethyl ester, hydrochlorideRefChem:331230
Database identifiers
- CAS
100700-33-2- PubChem CID
- 57982
Properties
Computed structural properties
- Topological polar surface area
- 84.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 9
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 745
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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