Basic information
- CAS
63690-35-7- Standard SMILES
CCC(CC)CCN1CC[C@]23CCCC[C@H]2[C@H]1Cc1ccc(OC)cc13.O=C(O)[C@H](O)[C@@H](O)C(=O)O- InChIKey
LDPFAJVAGABIAZ-MKNSLJMYSA-N- Molecular formula
- C28H43NO7
- Average molar mass
- 505.6 g/mol
- Monoisotopic mass
- 505.30395271
Names & identifiers
- Preferred name
- 2,3-Dihydroxybutanedioic acid--17-(3-ethylpentyl)-3-methoxymorphinan (1/1)
- IUPAC
- (2R,3R)-2,3-dihydroxybutanedioic acid;(1R,9R,10R)-17-(3-ethylpentyl)-4-methoxy-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene
Names & synonyms
63690-35-7DTXSID909799982,3-Dihydroxybutanedioic acid--17-(3-ethylpentyl)-3-methoxymorphinan (1/1)RefChem:1059408DTXCID501407278(-)-17-(3-Ethylpentyl)-3-methoxymorphinan tartrateMorphinan, 17-(3-ethylpentyl)-3-methoxy-, tartrate, (-)-(2R,3R)-2,3-Dihydroxybutanedioic acid--17-(3-ethylpentyl)-3-methoxymorphinan (1/1)
Database identifiers
- CAS
63690-35-7- PubChem CID
- 5486038
- DTXSID
DTXSID90979998
Properties
Computed structural properties
- Topological polar surface area
- 128 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 9
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 595
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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