8-Deoxyserratinidine
Basic information
- CAS
82841-99-4- Standard SMILES
CC(=O)NC1CC2CC(C)C=C3N4CCCC1C32CCC4- InChIKey
OUOOYDSFWFBZIG-UHFFFAOYSA-N- Molecular formula
- C18H28N2O
- Average molar mass
- 288.4 g/mol
- Monoisotopic mass
- 288.22016352
Names & identifiers
- Preferred name
- 8-Deoxyserratinidine
- IUPAC
- N-(4-methyl-13-azatetracyclo[7.7.0.01,6.02,13]hexadec-2-en-8-yl)acetamide
Names & synonyms
82841-99-48-DeoxyserratinidineFawcettidine, 5-(acetylamino)-5-deoxo-, (5alpha)-DTXSID001002946Acetamide, N-(3,4,4a,5,6,6a,7,8-octahydro-8-methyl-1,9b-propano-2H-indeno(7,1-bc)azepin-5-yl)-, (1R-(1alpha,4aalpha,5alpha,6aalpha,8alpha,9balpha))-N-(8-Methyl-3,4,4a,5,6,6a,7,8-octahydro-2H-1,9b-propanoindeno[7,1-bc]azepin-5-yl)ethanimidic acid
Database identifiers
- CAS
82841-99-4- PubChem CID
- 158261
- DTXSID
DTXSID001002946
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 32.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 486
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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