(4Ar,12as,12br,12cs)-15-methyl-4a,5,12,12a,12b,12c-hexahydro-11h-6a,4-(ethanoiminomethano)-1-oxa-10b-azacyclohepta[1,2,3-cd]fluoranthen-6(2h)-one
Basic information
- CAS
30864-63-2- Standard SMILES
CN1CCC23C(=O)C[C@H]4C(=CCO[C@H]5CCN(c6ccccc62)[C@H]3[C@H]54)C1- InChIKey
JJLDCCAQWIHRLV-PNRRXULYSA-N- Molecular formula
- C22H26N2O2
- Average molar mass
- 350.5 g/mol
- Monoisotopic mass
- 350.19942808
Names & identifiers
- Preferred name
- (4Ar,12as,12br,12cs)-15-methyl-4a,5,12,12a,12b,12c-hexahydro-11h-6a,4-(ethanoiminomethano)-1-oxa-10b-azacyclohepta[1,2,3-cd]fluoranthen-6(2h)-one
- IUPAC
- (10S,22R,23R,24S)-4-methyl-9-oxa-4,13-diazahexacyclo[11.6.5.01,24.06,22.010,23.014,19]tetracosa-6,14,16,18-tetraen-20-one
Names & synonyms
(4ar,12as,12br,12cs)-15-methyl-4a,5,12,12a,12b,12c-hexahydro-11h-6a,4-(ethanoiminomethano)-1-oxa-10b-azacyclohepta[1,2,3-cd]fluoranthen-6(2h)-oneDTXSID30953050Strychnidinium, 16-hydroxy-19-methyl-(10S,22R,23R,24S)-4-Methyl-9-oxa-4,13-diazahexacyclo[11.6.5.01,24.06,22.010,23.014,19]tetracosa-6,14,16,18-tetraen-20-one15-Methyl-4a,5,12,12a,12b,12c-hexahydro-11H-6a,4-(ethanoiminomethano)-1-oxa-10b-azacyclohepta[1,2,3-cd]fluoranthen-6(2H)-one
Database identifiers
- CAS
30864-63-2- PubChem CID
- 189083
- DTXSID
DTXSID30953050
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 32.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 661
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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