Basic information
- CAS
14350-67-5- Standard SMILES
C1CN[C@@H]2[C@@H](C1)C[C@@H]1C[C@]2([C@H]2CCC[C@H](C3CC[C@@H]4N[C@H]3N3CCC[C@H]5C[C@@H]6C[C@]4(CN4CCCC[C@H]64)[C@@H]53)N2)CN2CCCC[C@H]12- InChIKey
AALLVKSRUNOPFP-RFWJHHGTSA-N- Molecular formula
- C40H66N6
- Average molar mass
- 631 g/mol
- Monoisotopic mass
- 630.53489613
Names & identifiers
- Preferred name
- Ormosinine
- IUPAC
- (1R,2S,6S,11S,13R,14R,21R)-5-[(2R,6R)-6-[(1R,2R,7S,9R,10R)-3,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-1-yl]piperidin-2-yl]-7,19,23-triazahexacyclo[9.9.1.11,13.12,6.07,21.014,19]tricosane
Names & synonyms
Ormosinine14350-67-5DTXSID10931912[(2R,6R)-6-[?]yl-2-piperidyl][?]20-(12,20-Cycloormosanin-21-yl)ormosanine(20R)-20-[(18S,20S)-7alpha-12,20-Cycloormosanin-21-yl]-7alpha-ormosanine
Database identifiers
- CAS
14350-67-5- PubChem CID
- 452971
- DTXSID
DTXSID10931912- ChEMBL
CHEMBL504471
Properties
Computed structural properties
- XLogP
- 5.5
- Topological polar surface area
- 45.8 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 46
- Formal charge
- 0
- Complexity
- 1,160
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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