Basic information
- CAS
63868-04-2- Standard SMILES
O=C(O)c1ccccc1O.Oc1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)N(CCN1CCOCC1)CC3- InChIKey
ALLHKROWDHKMEZ-JVFQMWRPSA-N- Molecular formula
- C29H38N2O5
- Average molar mass
- 494.6 g/mol
- Monoisotopic mass
- 494.27807232
Names & identifiers
- Preferred name
- Morphinan-3-ol, 17-(2-morpholinoethyl)-, salicylate, (-)-
- IUPAC
- 2-hydroxybenzoic acid;(1R,9R,10R)-17-(2-morpholin-4-ylethyl)-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-4-ol
Names & synonyms
(-)-17-(2-Morpholinoethyl)morphinan-3-ol salicylate63868-04-2Morphinan-3-ol, 17-(2-morpholinoethyl)-, salicylate, (-)-RefChem:357424DTXSID209805522-Hydroxybenzoic acid--17-[2-(morpholin-4-yl)ethyl]morphinan-3-ol (1/1)
Database identifiers
- CAS
63868-04-2- PubChem CID
- 5745751
- DTXSID
DTXSID20980552
Properties
Computed structural properties
- Topological polar surface area
- 93.5 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 627
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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