Product Name: Quinine ethiodide (CAS NO.73771-81-0)
Molecular Formula: C22H29N2O2•I
Molecular Weight: 480.43g/mol
Mol File: 73771-81-0.mol
H-Bond Donor: 1
H-Bond Acceptor: 4
Structure Descriptors of Quinine ethiodide (CAS NO.73771-81-0):
IUPAC Name: (S)-[(7R)-5-ethenyl-1-ethyl-1-azoniabicyclo[2.2.2]octan-7-yl]-(6-methoxyquinolin-4-yl)methanol iodide
Canonical SMILES: CC[N+]12CCC(CC1C(C3=C4C=C(C=CC4=NC=C3)OC)O)C(C2)C=C.[I-]
Isomeric SMILES: CC[N+]12CCC(C[C@@H]1[C@H](C3=C4C=C(C=CC4=NC=C3)OC)O)C(C2)C=C.[I-]
InChI: InChI=1S/C22H29N2O2.HI/c1-4-15-14-24(5-2)11-9-16(15)12-21(24)22(25)18-8-10-23-20-7-6-17(26-3)13-19(18)20;/h4,6-8,10,13,15-16,21-22,25H,1,5,9,11-12,14H2,2-3H3;1H/q+1;/p-1/t15?,16?,21-,22+,24?;/m1./s1
InChIKey: QGKRCDXLQCXCNP-NYHCBIMJSA-M
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
rabbit | LDLo | intravenous | 9mg/kg (9mg/kg) | PERIPHERAL NERVE AND SENSATION: SPASTIC PARALYSIS WITH OR WITHOUT SENSORY CHANGE BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY) | Journal of Pharmacology and Experimental Therapeutics. Vol. 91, Pg. 127, 1947. |
rat | LDLo | intravenous | 23mg/kg (23mg/kg) | PERIPHERAL NERVE AND SENSATION: SPASTIC PARALYSIS WITH OR WITHOUT SENSORY CHANGE BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY) | Journal of Pharmacology and Experimental Therapeutics. Vol. 91, Pg. 127, 1947. |
Poison by intravenous route. When heated to decomposition it emits very toxic fumes of I− and NOx. See also QUININE and IODIDES.
Quinine ethiodide ,its CAS NO. is 73771-81-0,the synonyms is (8-alpha,9R)-1-Ethyl-9-hydroxy-6'-methoxycinchonan-1-ium iodide ; 6-(1-Hydroxy-1-(6-methoxy-4-quinolinyl)methyl)-1-ethyl-3-vinylquinuclidinium iodide ; Quinuclidinium, 6-(hydroxy(6-methoxy-4-quinolinyl)methyl)-1-ethyl-3-vinyl-, iodide ; Cinchonan-1-ium, 1-ethyl-9-hydroxy-6'-methoxy-, iodide, (8-alpha,9R)- .
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