Basic information
- CAS
42982-87-6- Standard SMILES
C=C[C@H]1C[N+]2(C)CCC1C[C@@H]2[C@@H](O)c1ccnc2ccc(OC)cc12.[I-]- InChIKey
AJQSDVGBERUTGX-QVEQJUGRSA-M- Molecular formula
- C21H27IN2O2
- Average molar mass
- 466.4 g/mol
- Monoisotopic mass
- 466.11173
Names & identifiers
- Preferred name
- 9-Hydroxy-6'-methoxy-1-methylcinchonan-1-ium iodide
- IUPAC
- (S)-[(2R,5R)-5-ethenyl-1-methyl-1-azoniabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol iodide
- English name
- Quinidine Methiodide
- Molecular formula
- C21H27N2O2.I
- Molecular weight
- 466.36
Names & synonyms
9-Hydroxy-6'-methoxy-1-methylcinchonan-1-ium iodideDTXSID00962831AKOS030502651(1xi,9S)-9-Hydroxy-6'-methoxy-1-methylcinchonan-1-ium iodide(2R,5R)-2-((S)-hydroxy(6-methoxyquinolin-4-yl)methyl)-1-methyl-5-vinylquinuclidin-1-ium iodideNMQSB-NMQQuinidine MethiodideN-methyl-quinidine (NMQ)NMQ/N-methyl-quinidine - MDR1/P-gp Substrate(S)-[(2R,5R)-5-ethenyl-1-methyl-1-azoniabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol,iodide
Database identifiers
- CAS
42982-87-6- PubChem CID
- 39365
- DTXSID
DTXSID00962831
Properties
Computed structural properties
- Topological polar surface area
- 42.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 498
Physicochemical properties
- Melting point
- 235 · 235-236 °C
- storage temp.
- room temp
- solubility
- DMSO (Slightly), Ethanol (Slightly), Methanol (Slightly)
- form
- powder
- color
- white
- Stability
- Hygroscopic
- FDA UNII
- 4 RL12FXJ1F · 4RL12FXJ1F
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501
- Hazard Codes
- Xn
- Risk Statements
- 22 · 22
- WGK Germany
- 3 · 3
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- wgk
- 3
- risk_code
- 22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn
- Hazard statements
- H302
- Precautionary statements
- P264-P270-P301+P312-P330-P501
Chemistry & industry
Applications
UsesQuinidine Methiodide, is a metabolite of Quinidine (Q685000), which is a dextrorotatory stereoisomer of Quinine (Q694000), acting as Antiarrhythmic (class IA), and Antimalarial.
Suppliers8 total
艾吉析科技（上海）有限公司17717235263 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
TargetMol 中国（陶术生物）400-821-0310 15002144251 · [email protected]
深圳振强药物研发有限公司0755-66853366 13670046396 · [email protected]
天津凯利奇生物科技有限公司15076683720 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 13028896684 · [email protected]
常州翔龙医药科技有限公司18661161657 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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