Basic information
- CAS
63732-33-2- Standard SMILES
CCC(C)CCN1CC[C@]23CCCC[C@H]2[C@H]1Cc1ccc(OC)cc13.O=C(O)[C@H](O)[C@@H](O)C(=O)O- InChIKey
IATJMLPKUHHHKY-HYMTUZTBSA-N- Molecular formula
- C27H41NO7
- Average molar mass
- 491.6 g/mol
- Monoisotopic mass
- 491.28830265
Names & identifiers
- Preferred name
- 2,3-Dihydroxybutanedioic acid--3-methoxy-17-(3-methylpentyl)morphinan (1/1)
- IUPAC
- (2R,3R)-2,3-dihydroxybutanedioic acid;(1R,9R,10R)-4-methoxy-17-(3-methylpentyl)-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene
Names & synonyms
63732-33-2DTXSID509802072,3-Dihydroxybutanedioic acid--3-methoxy-17-(3-methylpentyl)morphinan (1/1)RefChem:1059425DTXCID001407485(-)-3-Methoxy-17-(3-methylpentyl)morphinan tartrateMorphinan, 3-methoxy-17-(3-methylpentyl)-, tartrate, (-)-(2R,3R)-2,3-Dihydroxybutanedioic acid--3-methoxy-17-(3-methylpentyl)morphinan (1/1)
Database identifiers
- CAS
63732-33-2- PubChem CID
- 5486015
- DTXSID
DTXSID50980207
Properties
Computed structural properties
- Topological polar surface area
- 128 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 8
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 585
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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