Basic information
- CAS
77172-81-7- Standard SMILES
CCCCN1CCC(C(=O)N2CCc3cc(OC)c(OC)cc3C2Cc2ccc(OC)c(OC)c2)(c2ccccc2)CC1- InChIKey
IJWIOLPQJVTSRT-UHFFFAOYSA-N- Molecular formula
- C36H46N2O5
- Average molar mass
- 586.8 g/mol
- Monoisotopic mass
- 586.34067257
Names & identifiers
- Preferred name
- Isoquinoline, 1,2,3,4-tetrahydro-2-((1-butyl-4-phenyl-4-piperidinyl)carbonyl)-6,7-dimethoxy-1-((3,4-dimethoxyphenyl)methyl)-
- IUPAC
- (1-butyl-4-phenylpiperidin-4-yl)-[1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]methanone
Names & synonyms
N-(1-Butyl-4-phenyl-4-piperidinyl)tetrahydropapaverine77172-81-7Isoquinoline, 1,2,3,4-tetrahydro-2-((1-butyl-4-phenyl-4-piperidinyl)carbonyl)-6,7-dimethoxy-1-((3,4-dimethoxyphenyl)methyl)-RefChem:349916BG-9SCHEMBL29723932DTXSID40998437(1-Butyl-4-phenylpiperidin-4-yl){1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl}methanone
Database identifiers
- CAS
77172-81-7- PubChem CID
- 53594
- DTXSID
DTXSID40998437
Properties
Computed structural properties
- XLogP
- 6.4
- Topological polar surface area
- 60.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 11
- Heavy atoms
- 43
- Formal charge
- 0
- Complexity
- 857
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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