2,3-Dihydroxybutanedioic acid--3-methoxy-17-(3-methylbutyl)morphinan (1/1)
Basic information
- CAS
63690-41-5- Standard SMILES
COc1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)N(CCC(C)C)CC3.O=C(O)[C@H](O)[C@@H](O)C(=O)O- InChIKey
FDOGNTWNJXHXNZ-MZIRSVLISA-N- Molecular formula
- C26H39NO7
- Average molar mass
- 477.6 g/mol
- Monoisotopic mass
- 477.27265258
Names & identifiers
- Preferred name
- 2,3-Dihydroxybutanedioic acid--3-methoxy-17-(3-methylbutyl)morphinan (1/1)
- IUPAC
- (2R,3R)-2,3-dihydroxybutanedioic acid;(1R,9R,10R)-4-methoxy-17-(3-methylbutyl)-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene
Names & synonyms
63690-41-5DTXSID709800022,3-Dihydroxybutanedioic acid--3-methoxy-17-(3-methylbutyl)morphinan (1/1)RefChem:1059424DTXCID901407282(-)-17-Isopentyl-3-methoxymorphinan tartrateMorphinan, 17-isopentyl-3-methoxy-, tartrate, (-)-(2R,3R)-2,3-Dihydroxybutanedioic acid--3-methoxy-17-(3-methylbutyl)morphinan (1/1)
Database identifiers
- CAS
63690-41-5- PubChem CID
- 5486044
- DTXSID
DTXSID70980002
Properties
Computed structural properties
- Topological polar surface area
- 128 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 7
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 570
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Related reactions
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Compound notes
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