Cinchonan-9-ol, 10,11-dihydro-6'-methoxy-, hydrobromide, hydrate (1:1:?), (8alpha,9R)-
Basic information
- CAS
207386-86-5- Standard SMILES
Br.CC[C@H]1CN2CC[C@H]1C[C@H]2[C@H](O)c1ccnc2ccc(OC)cc12.O- InChIKey
IWSVSZYIGVGHCN-HZQSTTLBSA-N- Molecular formula
- C20H29BrN2O3
- Average molar mass
- 425.4 g/mol
- Monoisotopic mass
- 424.13616
Names & identifiers
- Preferred name
- Cinchonan-9-ol, 10,11-dihydro-6'-methoxy-, hydrobromide, hydrate (1:1:?), (8alpha,9R)-
- IUPAC
- (R)-[(2S,4S,5R)-5-ethyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol;hydrate;hydrobromide
Names & synonyms
207386-86-5RefChem:334138Cinchonan-9-ol, 10,11-dihydro-6'-methoxy-, hydrobromide, hydrate (1:1:?), (8alpha,9R)-(R)-((1S,2S,4S,5R)-5-Ethylquinuclidin-2-yl)(6-methoxyquinolin-4-yl)methanol hydrobromide xhydrate(8alpha,9R)-10,11-dihydro-6'-methoxycinchonan-9-ol hydrobromide hydrate(R)-((1S,2S,4S,5R)-5-Ethylquinuclidin-2-yl)(6-methoxyquinolin-4-yl)methanol hydrobromide hydrateSCHEMBL15475275SCHEMBL15475277
Database identifiers
- CAS
207386-86-5- PubChem CID
- 20836619
- EC Number
- 620-987-7
Properties
Computed structural properties
- Topological polar surface area
- 46.6 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 432
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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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