Basic information
- CAS
825594-24-9- Standard SMILES
C=CCN1CCC2(C)c3cc(O)ccc3CC1C2C- InChIKey
LGQCVMYAEFTEFN-UHFFFAOYSA-N- Molecular formula
- C17H23NO
- Average molar mass
- 257.37 g/mol
- Monoisotopic mass
- 257.17796436
Overview
SKF-10,047 is an organic heterotricyclic compound that is metazocine in which the methyl group at the N-position is replaced by an allyl group. It has a role as an opioid analgesic and an opioid receptor antagonist. It is an organic heterotricyclic compound, an organic hydroxy compound, a tertiary amino compound and an olefinic compound.
Names & identifiers
- Preferred name
- Alazocine
- IUPAC
- 1,13-dimethyl-10-prop-2-enyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-ol
Names & synonyms
Alazocine825594-24-9DTXSID301018249RefChem:931820DTXCID40221398SKF-10,047N-Allylnormetazocine10-allyl-1,13-dimethyl-10-azatricyclo[7.3.1.0~2,7~]trideca-2,4,6-trien-4-ol2,6-Methano-3-benzazocin-8-ol, 1,2,3,4,5,6-hexahydro-3-allyl-6,11-dimethyl-CHEMBL2740997619-35-4SKF 10047
Show more names
1,13-dimethyl-10-prop-2-enyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-ol6,11-Dimethyl-3-(prop-2-en-1-yl)-1,2,3,4,5,6-hexahydro-2,6-methano-3-benzazocin-8-olWIN 19631MFCD00078553Lopac0_000107SCHEMBL20348443SCHEMBL29372544CHEBI:228203
Database identifiers
- CAS
825594-24-9- PubChem CID
- 1235
- DTXSID
DTXSID301018249- ChEMBL
CHEMBL274099- ChEBI
CHEBI:228203- Nikkaji
- J292.174J、J33.871K
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 23.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 355
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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