Basic information
- CAS
82975-76-6- Standard SMILES
O=C(CCl)OC12CCC(=O)[C@H]3Oc4c(O)ccc5c4C31CCN(CC1CC1)C2C5- InChIKey
RBLRREDDNIMVKU-PGWLQHKVSA-N- Molecular formula
- C22H24ClNO5
- Average molar mass
- 417.9 g/mol
- Monoisotopic mass
- 417.1343006
Names & identifiers
- Preferred name
- 17-(Cyclopropylmethyl)-3-hydroxy-6-oxo-4,5-epoxymorphinan-14-yl chloroacetate
- IUPAC
- [(7aS)-3-(cyclopropylmethyl)-9-hydroxy-7-oxo-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-4a-yl] 2-chloroacetate
Names & synonyms
17-(Cyclopropylmethyl)-3-hydroxy-6-oxo-4,5-epoxymorphinan-14-yl chloroacetateDTXSID90100303417-(Cyclopropylmethyl)-3-hydroxy-6-oxo-5beta-4,5-epoxymorphinan-14-yl chloroacetate[(7As)-3-(cyclopropylmethyl)-9-hydroxy-7-oxo-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-4a-yl] 2-chloroacetate
Database identifiers
- CAS
82975-76-6- PubChem CID
- 134136
- DTXSID
DTXSID901003034
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 76.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 743
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…