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Basic Information
CAS No.: 7601-55-0
Name: TETRANDRINI DIMETHIODIDUM
Article Data: 6
Molecular Structure:
Molecular Structure of 7601-55-0 (TETRANDRINI DIMETHIODIDUM)
Formula: C40H48N2O6•2I
Molecular Weight: 906.64
Synonyms: O,O'-dimethyl-tubocurarine diiodide;6,6',7',12'-tetramethoxy-2,2,2',2'-tetramethyl-tubocurarandiium,diiodide;Metokuriinijodidi;Dimethyltubocurarine Iodide;Methyl-curarin;METOCURINE IODIDE;Metubine;metocurine diiodide;6,6',7',12'-Tetramethoxy-2,2,2',2'-tetramethyl-tubocurarandiium,Dijodid;6,6',7',12'-tetramethoxy-2,2,2',2'-tetramethyl-tubocuraranium;Metokurinjodid;Mutubine Iodide;
Safety: Poison by intravenous route. When heated to decomposition it emits very toxic fumes of I− and NOx. See also IODIDES and ETHERS.
PSA: 55.38000
LogP: 1.37720
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Chemistry

Empirical Formula of Metocurine iodide (CAS NO.7601-55-0): C40H48I2N2O6
Molecular Weight: 906.6279
Structure of Metocurine iodide (CAS NO.7601-55-0):
                       
Canonical SMILES: C[N+]1(CCC2=CC(=C3C=C2C1CC4=CC=C(C=C4)OC5=C6C(CC7=CC(=C(C=C7)OC)O3)[N+](CCC6=CC(=C5OC)OC)(C)C)OC)C.[I-].[I-]
Isomeric SMILES: C[N+]1(CCC2=CC(=C3C=C2[C@@H]1CC4=CC=C(C=C4)OC5=C6[C@@H](CC7=CC(=C(C=C7)OC)O3)[N+](CCC6=CC(=C5OC)OC)(C)C)OC)C.[I-].[I-]
InChI: InChI=1S/C40H48N2O6.2HI/c1-41(2)17-15-27-22-34(44-6)36-24-30(27)31(41)19-25-9-12-29(13-10-25)47-40-38-28(23-37(45-7)39(40)46-8)16-18-42(3,4)32(38)20-26-11-14-33(43-5)35(21-26)48-36;;/h9-14,21-24,31-32H,15-20H2,1-8H3;2*1H/q+2;;/p-2/t31-,32+;;/m0../s1
InChIKey: DIGFQJFCDPKEPF-OIUSMDOTSA-L

Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
guinea pig LD50 intravenous 50mg/kg (50mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD
LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES		 Journal of Laboratory and Clinical Medicine. Vol. 34, Pg. 516, 1949.
man TDLo intravenous 150ug/kg (0.15mg/kg) SENSE ORGANS AND SPECIAL SENSES: PTOSIS: EYE
VASCULAR: BP LOWERING NOT CHARACTERIZED IN AUTONOMIC SECTION
LUNGS, THORAX, OR RESPIRATION: DYSPNEA		 Journal of Pharmacology and Experimental Therapeutics. Vol. 93, Pg. 109, 1948.
mouse LD50 intravenous 230ug/kg (0.23mg/kg) BEHAVIORAL: MUSCLE WEAKNESS Naunyn-Schmiedeberg's Archiv fuer Experimentelle Pathologie und Pharmakologie. Vol. 244, Pg. 493, 1963.
rabbit LD50 intravenous 32ug/kg (0.032mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD
LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES		 Journal of Laboratory and Clinical Medicine. Vol. 34, Pg. 516, 1949.
rat LD50 intraperitoneal 370ug/kg (0.37mg/kg) PERIPHERAL NERVE AND SENSATION: FLACCID PARALYSIS WITHOUT ANESTHESIA (USUALLY NEUROMUSCULAR BLOCKAGE)
LUNGS, THORAX, OR RESPIRATION: DYSPNEA		 Journal of Pharmacology and Experimental Therapeutics. Vol. 93, Pg. 109, 1948.
rat LD50 intravenous 35ug/kg (0.035mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD
LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES		 Journal of Laboratory and Clinical Medicine. Vol. 34, Pg. 516, 1949.

Safety Profile

Poison by intravenous route. When heated to decomposition Metocurine iodide (CAS NO.7601-55-0) emits very toxic fumes of I− and NOx. See also IODIDES and ETHERS.

Specification

 Metocurine iodide , its cas register number is 7601-55-0. It also can be called Metocurine iodide [USAN] ; Dimethylchondrocurarine iodide ; O,O'-Dimethylchondrocurarine diiodide ; and 6,6',7',12'-Tetramethoxy-2,2,2',2'-tetramethyltubocuraranium diiodide .