6,10-Dimethyldecahydro-5H,13cH-8a,11-methano-6,13b-propanocyclohepta(h)(1,3)oxazolo(2,3-a)isoquinolin-9(10H)-one
Basic information
- CAS
545-60-8- Standard SMILES
CC1C(=O)C23CCC4C5(C)CCCC4(C4OCCN4C5)C2CCC1C3- InChIKey
BGZNEAVTIQGRHL-UHFFFAOYSA-N- Molecular formula
- C22H33NO2
- Average molar mass
- 343.5 g/mol
- Monoisotopic mass
- 343.2511293
Overview
See also: Cuauchichicine (annotation moved to).
Names & identifiers
- Preferred name
- 6,10-Dimethyldecahydro-5H,13cH-8a,11-methano-6,13b-propanocyclohepta(h)(1,3)oxazolo(2,3-a)isoquinolin-9(10H)-one
- IUPAC
- 6,12-dimethyl-17-oxa-14-azahexacyclo[10.6.3.15,8.01,11.02,8.014,18]docosan-7-one
Names & synonyms
DTXSID609696846,10-Dimethyldecahydro-5H,13cH-8a,11-methano-6,13b-propanocyclohepta(h)(1,3)oxazolo(2,3-a)isoquinolin-9(10H)-one6,10-Dimethyldecahydro-5H,13cH-8a,11-methano-6,13b-propanocyclohepta[h][1,3]oxazolo[2,3-a]isoquinolin-9(10H)-oneRefChem:1073535DTXCID801397234Cuauchichicine545-60-8BRN 4708557NSC304669NSC 304669NSC-304669
Database identifiers
- CAS
545-60-8- PubChem CID
- 200141
- DTXSID
DTXSID60969684
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 634
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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