Morphinan-6-one, 4,5-alpha-epoxy-3-hydroxy-17-methyl-, N-oxide, ditartarate
Basic information
- CAS
37764-28-6- Standard SMILES
CC(C)C[C@H](N)C(=O)N[C@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)O)C(C)C- InChIKey
RMAZHXJOTXQSHU-HVYFOGIKSA-N- Molecular formula
- C28H51N7O11
- Average molar mass
- 661.7 g/mol
- Monoisotopic mass
- 661.36465547
Names & identifiers
- Preferred name
- Morphinan-6-one, 4,5-alpha-epoxy-3-hydroxy-17-methyl-, N-oxide, ditartarate
- IUPAC
- (2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-4-methylpentanoyl]amino]-3-methylbutanoyl]amino]-4-carboxybutanoyl]amino]-3-hydroxypropanoyl]amino]-3-hydroxypropanoyl]amino]hexanoic acid
- English name
- (2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-4-me thyl-pentanoyl]amino]-3-methyl-butanoyl]amino]-4-carboxy-butanoyl]amin o]-3-hydroxy-propanoyl]amino]-3-hydroxy-propanoyl]amino]hexanoic acid
- Molecular formula
- C28H51N7O11
- Molecular weight
- 661.74484
Names & synonyms
37764-28-6Dihydromorphinon-N-oxyd-ditartarat [German]Dihydromorphinon-N-oxyd-ditartarat4,5-alpha-Epoxy-3-hydroxy-17-methylmorphinan-6-one N-oxide tartarateMorphinan-6-one, 4,5-alpha-epoxy-3-hydroxy-17-methyl-, N-oxide, ditartarateRefChem:357464A/VILeu-Val-Glu-Ser-Ser-LysSCHEMBL29715043DTXSID20958817N~2~-[(2S,5S,8S,11S,14S)-14-Amino-8-(2-carboxyethyl)-1,4,7,10,13-pentahydroxy-2,5-bis(hydroxymethyl)-16-methyl-11-(propan-2-yl)-3,6,9,12-tetraazaheptadeca-3,6,9,12-tetraen-1-ylidene]-L-lysineN~2~-[14-Amino-8-(2-carboxyethyl)-1,4,7,10,13-pentahydroxy-2,5-bis(hydroxymethyl)-16-methyl-11-(propan-2-yl)-3,6,9,12-tetraazaheptadeca-3,6,9,12-tetraen-1-ylidene]lysine
Show more names
(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-4-me thyl-pentanoyl]amino]-3-methyl-butanoyl]amino]-4-carboxy-butanoyl]amin o]-3-hydroxy-propanoyl]amino]-3-hydroxy-propanoyl]amino]hexanoic acid
Properties
Computed structural properties
- XLogP
- -7.1
- Topological polar surface area
- 313 Ų
- Hydrogen bond donors
- 11
- Hydrogen bond acceptors
- 13
- Rotatable bonds
- 23
- Heavy atoms
- 46
- Formal charge
- 0
- Complexity
- 1,040
Physicochemical properties
- Boiling point
- 442.47 °C · 442.47°C (rough estimate)
- Density
- 1.1222 · 1.1222 (rough estimate)
- refractive index
- 1.54 · 1.5400 (estimate)
- Toxicity
- 50 subcutaneous · LD50 subcutaneous in mouse: 2gm/kg
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Toxicity
- LD50 subcutaneous in mouse: 2gm/kg
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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