Basic information
- CAS
303-75-3- Standard SMILES
CCC1(O)CC2c3cc(OC)c(OC)cc3CCN2CC1CC(C)C- InChIKey
TUNMGCULOKMBNJ-UHFFFAOYSA-N- Molecular formula
- C21H33NO3
- Average molar mass
- 347.5 g/mol
- Monoisotopic mass
- 347.24604391
Overview
Proposed catecholamine depletor.
Names & identifiers
- Preferred name
- 2H-Benzo(a)quinolizin-2-ol, 2-ethyl-1,3,4,6,7,11b-hexahydro-3-isobutyl-9,10-dimethoxy-
- IUPAC
- 2-ethyl-9,10-dimethoxy-3-(2-methylpropyl)-1,3,4,6,7,11b-hexahydrobenzo[a]quinolizin-2-ol
Names & synonyms
303-75-3RO 4-1284Ro-4-1284BRN 1547216Ro 4-12884H2S3M5M7202H-Benzo(a)quinolizin-2-ol, 2-ethyl-1,3,4,6,7,11b-hexahydro-3-isobutyl-9,10-dimethoxy-5-21-05-00558 (Beilstein Handbook Reference)2-ETHYL-1,3,4,6,7,11B-HEXAHYDRO-3-ISOBUTYL-9,10-DIMETHOXY-2H-BENZO(A)QUINOLIZIN-2-OL2-HYDROXY-2-ETHYL-3-ISOBUTYL-9,10-DIMETHOXY-1,3,4,6,7,11B-HEXAHYDRO-2H-BENZO(A)QUINOLIZINERefChem:3887492H-Benzo(a)quinolizin-2-ol, 2-ethyl-1,3,4,6,7,11b-hexahydro-9,10-dimethoxy-3-(2-methylpropyl)-
Show more names
2-ethyl-9,10-dimethoxy-3-(2-methylpropyl)-1,3,4,6,7,11b-hexahydrobenzo[a]quinolizin-2-olCHEMBL2138142H-Benzo[a]quinolizin-2-ol, 2-ethyl-1,3,4,6,7,11b-hexahydro-9,10-dimethoxy-3-(2-methylpropyl)-Oprea1_578571UNII-H2S3M5M720DTXSID90952665SCHEMBL11790429SCHEMBL29462488
Database identifiers
- CAS
303-75-3- PubChem CID
- 9345
- DTXSID
DTXSID90952665
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 41.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 443
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H400 (100%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]
P273, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAquatic Acute 1 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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