Basic information
- Standard SMILES
C=CCN1CCC23c4c5ccc(O)c4OC2C(=O)CCC3(O)C1C5- InChIKey
UZHSEJADLWPNLE-UHFFFAOYSA-N- Molecular formula
- C19H21NO4
- Average molar mass
- 327.4 g/mol
Overview
4a,9-dihydroxy-3-prop-2-enyl-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline-7-one is a member of phenanthrenes.
Names & identifiers
- Preferred name
- 4a,9-dihydroxy-3-prop-2-enyl-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro(3,2-e)isoquinoline-7-one
- IUPAC
- 4a,9-dihydroxy-3-prop-2-enyl-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one
Names & synonyms
4a,9-dihydroxy-3-prop-2-enyl-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro(3,2-e)isoquinoline-7-one4a,9-dihydroxy-3-prop-2-enyl-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline-7-oneRefChem:10717374a,9-dihydroxy-3-prop-2-enyl-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-oneNSC 70413Naloxone(-)Nalone (Salt/Mix)Narcan (Salt/Mix)Normorphinone, N-allyl-dihydro-14-hydroxy-Oprea1_030545SCHEMBL10031249BDBM86260
Show more names
CHEBI:91663Morphinan-6-one, 4,5-epoxy-3,14-dihydroxy-17-(2-propenyl)-, (5.alpha.)-UZHSEJADLWPNLE-UHFFFAOYSA-NNSC_10064CAS_465-65-6L000674BRD-A37541666-003-01-6Q27163485
Database identifiers
- PubChem CID
- 4425
- ChEBI
CHEBI:91663
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 70 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 594
Experimental & physicochemical properties
DrugsPharmaceuticals
Related reactions
2 records
Compound notes
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