Basic information
- CAS
18161-95-0- Standard SMILES
CN1CC2CC(C1)C1CCCC(=O)N1C2- InChIKey
ONDDMIQCYQALKD-UHFFFAOYSA-N- Molecular formula
- C12H20N2O
- Average molar mass
- 208.3 g/mol
- Monoisotopic mass
- 208.15756327
Overview
Cytisine, tetrahydro-12-methyl- has been reported in Ormosia hosiei with data available.
Names & identifiers
- Preferred name
- Cytisine, tetrahydro-12-methyl-
- IUPAC
- 11-methyl-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one
- English name
- 1,2,3,4,5,6,9,10,11,11a-Decahydro-3-methyl-1,5-methano-8H-pyrido[1,2-a][1,5]diazocin-8-one
- Molecular formula
- C12H20N2O
- Molecular weight
- 208.3
Names & synonyms
Cytisine, tetrahydro-12-methyl-11-methyl-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one18161-95-01,2,3,4,5,6,9,10,11,11a-Decahydro-3-methyl-1,5-methano-8H-pyrido[1,2-a][1,5]diazocin-8-oneSCHEMBL30728428ONDDMIQCYQALKD-UHFFFAOYSA-NDTXSID3013772251,5-Methano-8H-pyrido[1,2-a][1,5]diazocin-8-one, decahydro-3-methyl-Tetrahydro-12-methylcytisine1,5-Methano-8H-pyrido[1,2-a][1,5]diazocin-8-one, decahydro-3-methyl- (9CI)
Database identifiers
- CAS
18161-95-0- PubChem CID
- 565989
- DTXSID
DTXSID301377225- Nikkaji
- J101.764K
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 23.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 279
Chemistry & industry
Suppliers2 total
金瓯生物医药（南京）有限公司13000000000 · [email protected]
泰兴市海川生物科技有限公司19353112242 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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