Basic information
- CAS
60553-86-8- Standard SMILES
C=C[C@H]1CN2CCC1C[C@@H]2[C@@H](O)c1ccnc2ccc(OC)cc12.C=C[C@H]1CN2CCC1C[C@@H]2[C@@H](O)c1ccnc2ccc(OC)cc12.O.O.O=S(=O)(O)O- InChIKey
ZHNFLHYOFXQIOW-YKSBFIEBSA-N- Molecular formula
- C40H54N4O10S
- Average molar mass
- 782.9 g/mol
- Monoisotopic mass
- 782.35606511
Overview
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Names & identifiers
- Preferred name
- Quinidine sulfate hydrate
- IUPAC
- bis((S)-[(2R,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol);sulfuric acid;dihydrate
Names & synonyms
6591-63-5Quinidex (TN)Quinidine sulfate (USP)SCHEMBL15557585DTXSID80975964Quinidine sulfate hydrate (JP18)AKOS015895974D02272Sulfuric acid--6'-methoxycinchonan-9-ol--water (1/2/2)Sulfuric acid--(1xi,9S)-6'-methoxycinchonan-9-ol--water (1/2/2)(S)-[(2R,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol;sulfuric acid;dihydrate60553-86-8
Database identifiers
- CAS
60553-86-8、6591-63-5- PubChem CID
- 64640
- DTXSID
DTXSID80975964- EC Number
- 678-472-8
Properties
Computed structural properties
- Topological polar surface area
- 176 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 14
- Rotatable bonds
- 8
- Heavy atoms
- 55
- Formal charge
- 0
- Complexity
- 538
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
H302 (97.5%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (97.5%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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