Quinidine hydrochloride
Basic information
- CAS
1668-99-1- Standard SMILES
C=C[C@H]1CN2CC[C@H]1C[C@@H]2[C@@H](O)c1ccnc2ccc(OC)cc12.Cl- InChIKey
LBSFSRMTJJPTCW-VJAUXQICSA-N- Molecular formula
- C20H25ClN2O2
- Average molar mass
- 360.9 g/mol
- Monoisotopic mass
- 360.1604557
Names & identifiers
- Preferred name
- Quinidine hydrochloride
- IUPAC
- (S)-[(2R,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol;hydrochloride
- English name
- (9S)-6'-methoxycinchonan-9-ol monohydrochloride
- Molecular formula
- C20H25ClN2O2
- Molecular weight
- 360.8777
Names & synonyms
QUINIDINE HYDROCHLORIDE1668-99-1Chinidin hydrochloridQuinidine, monohydrochlorideUNII-S4P5V5597BChinidin hydrochlorid [German]S4P5V5597BEINECS 216-792-8Cinchonan-9-ol, 6'-methoxy-, monohydrochloride, (9S)-QUINIDINE HYDROCHLORIDE [WHO-DD]CINCHONAN-9-OL, 6'-METHOXY-, HYDROCHLORIDE (1:1), (9S)-RefChem:178193
Show more names
Cinchonan-9-ol, 6'-methoxy-, monohydrochloride, (9S)-(9CI)216-792-8(9S)-6'-Methoxycinchonan-9-ol monohydrochloride(1S)-(6-Methoxyquinolin-4-yl)((2R,4S,5R)-5-vinylquinuclidin-2-yl)methanol hydrochloride(S)-[(2R,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol;hydrochloride(9S)-6/'-methoxycinchonan-9-ol monohydrochlorideorb2815544SCHEMBL1694280
Database identifiers
- CAS
1668-99-1、85135-88-2- PubChem CID
- 11639099
- ChEMBL
CHEMBL2165709- UNII
- S4P5V5597B
- EC Number
- 216-792-8
Properties
Computed structural properties
- Topological polar surface area
- 45.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 457
Physicochemical properties
- FDA UNII
- 4 P5V5597B · S4P5V5597B
- Symbol(GHS)
- 6 · GHS06
- Signal word
- Danger
- Hazard statements
- 317 · H317-H301
- Precautionary statements
- 261 · P261-P272-P280-P302+P352-P333+P313-P321-P363-P501-P264-P270-P301+P310-P321-P330-P405-P501
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
Danger
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
P261, P264, P270, P272, P280, P301+P316, P302+P352, P321, P330, P333+P317, P362+P364, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 3 (100%)
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS06
- Hazard statements
- H317-H301
- Precautionary statements
- P261-P272-P280-P302+P352-P333+P313-P321-P363-P501-P264-P270-P301+P310-P321-P330-P405-P501
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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