Morphinan-3,6-diol, 7,8-didehydro-4,5-epoxy-17-methyl-, N-oxide, ditartarate
Basic information
- CAS
37764-29-7- Standard SMILES
CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)[C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)O- InChIKey
INISVPAOPMKHCO-WZYQIZRJSA-N- Molecular formula
- C28H49N7O11
- Average molar mass
- 659.7 g/mol
- Monoisotopic mass
- 659.3490054
Names & identifiers
- Preferred name
- Morphinan-3,6-diol, 7,8-didehydro-4,5-epoxy-17-methyl-, N-oxide, ditartarate
- IUPAC
- (2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S,3R)-2-amino-3-hydroxybutanoyl]pyrrolidine-2-carbonyl]amino]-3-methylbutanoyl]amino]-3-hydroxypropanoyl]amino]-4-carboxybutanoyl]amino]hexanoic acid
Names & synonyms
Morphin-N-oxyd ditartarate [German]A/VII37764-29-7Morphin-N-oxyd ditartarate7,8-Didehydro-4,5-epoxy-17-methylmorphinan-3,6-diol N-oxide ditartarateMorphinan-3,6-diol, 7,8-didehydro-4,5-epoxy-17-methyl-, N-oxide, ditartarateRefChem:357410Thr-Pro-Val-Ser-Glu-LysDTXSID80958818N~2~-[(2S)-4-Carboxy-2-{[(2S)-1,3-dihydroxy-2-{[(2S)-1-hydroxy-2-({hydroxy[(2S)-1-L-threonylpyrrolidin-2-yl]methylidene}amino)-3-methylbutylidene]amino}propylidene]amino}-1-hydroxybutylidene]-L-lysineN~2~-[4-Carboxy-2-({1,3-dihydroxy-2-[(1-hydroxy-2-{[hydroxy(1-threonylpyrrolidin-2-yl)methylidene]amino}-3-methylbutylidene)amino]propylidene}amino)-1-hydroxybutylidene]lysine
Database identifiers
- CAS
37764-29-7- PubChem CID
- 216859
- DTXSID
DTXSID80958818- Nikkaji
- J2.085.347F
Properties
Computed structural properties
- XLogP
- -9.4
- Topological polar surface area
- 304 Ų
- Hydrogen bond donors
- 10
- Hydrogen bond acceptors
- 13
- Rotatable bonds
- 20
- Heavy atoms
- 46
- Formal charge
- 0
- Complexity
- 1,090
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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