Xorphanol Mesylate
Basic information
- CAS
77287-90-2- Standard SMILES
C=C1C[C@H](C)[C@H]2[C@H]3Cc4ccc(O)cc4[C@@]2(CCN3CC2CCC2)C1.CS(=O)(=O)O- InChIKey
VRWTWCLVCNQJGM-ZBWZZBALSA-N- Molecular formula
- C24H35NO4S
- Average molar mass
- 433.6 g/mol
- Monoisotopic mass
- 433.22867977
Overview
See also: Xorphanol (has active moiety).
Names & identifiers
- Preferred name
- Xorphanol Mesylate
- IUPAC
- (1R,9R,10R,11S)-17-(cyclobutylmethyl)-11-methyl-13-methylidene-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-4-ol;methanesulfonic acid
Names & synonyms
XORPHANOL MESYLATE77287-90-2Xorphanol mesilateA88BIS7IBBTR-5379MRefChem:195381Xorphanol mesylate [USAN]Xorphanol mesylate (USAN)17-(Cyclobutylmethyl)-8beta-methyl-6-methylenemorphinan-3-ol methanesulfonate (salt)Morphinan-3-ol, 17-(cyclobutylmethyl)-6-methylene-, (8-beta)-, methanesulfonate(1R,9R,10R,11S)-17-(cyclobutylmethyl)-11-methyl-13-methylidene-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-4-ol;methanesulfonic acidUNII-A88BIS7IBB
Show more names
TR5379MTR 5379Morb1694805SCHEMBL3164515CHEMBL398965317-Cyclobutylmethyl-3-hydroxy-6-methylene-8-beta-methylmorphinan(8-beta)-17-(Cyclobutylmethyl)-6-methylenemorphinan-3-ol methanesulfonateAKOS040754468
Database identifiers
- CAS
77287-90-2- PubChem CID
- 20056969
- ChEMBL
CHEMBL3989653- UNII
- A88BIS7IBB
Properties
Computed structural properties
- Topological polar surface area
- 86.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 633
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Related reactions
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Compound notes
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