Product Name: Alcuronium chloride (CAS NO.15180-03-7)
Molecular Formula: C44H50N4O2•2Cl
Molecular Weight: 737.88g/mol
Mol File: 15180-03-7.mol
Einecs: 239-229-8
H-Bond Donor: 2
H-Bond Acceptor: 6
Structure Descriptors of Alcuronium chloride (CAS NO.15180-03-7):
Canonical SMILES: C=CC[N+]12CCC34C1CC(C(=CCO)C2)C5=CN6C7C(=CN(C53)C8=CC=CC=C48)C9CC1C7(CC[N+]1(CC9=CCO)CC=C)C1=CC=CC=C16.[Cl-].[Cl-]
Isomeric SMILES: C=CC[N@@+]12CC[C@@]34[C@@H]1C[C@@H](/C(=C\CO)/C2)/C/5=C/N6C7/C(=C\N(C53)C8=CC=CC=C48)/C\9C[C@H]1[C@@]7(CC[N@+]1(C/C9=C/CO)CC=C)C1=CC=CC=C16.[Cl-].[Cl-]
InChI: InChI=1S/C44H50N4O2.2ClH/c1-3-17-47-19-15-43-35-9-5-7-11-37(35)45-26-34-32-24-40-44(16-20-48(40,18-4-2)28-30(32)14-22-50)36-10-6-8-12-38(36)46(42(34)44)25-33(41(43)45)31(23-39(43)47)29(27-47)13-21-49;;/h3-14,25-26,31-32,39-42,49-50H,1-2,15-24,27-28H2;2*1H/q+2;;/p-2/b29-13-,30-14-,33-25-,34-26-;;/t31-,32?,39-,40-,41?,42?,43+,44+,47-,48-;;/m0../s1
InChIKey: CPYGBGOXCJJJGC-WTZGIQSFSA-L
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
mouse | LD50 | intraperitoneal | 610ug/kg (0.61mg/kg) | Oyo Yakuri. Pharmacometrics. Vol. 3, Pg. 390, 1969. | |
mouse | LD50 | intravenous | 240ug/kg (0.24mg/kg) | Oyo Yakuri. Pharmacometrics. Vol. 3, Pg. 390, 1969. | |
mouse | LD50 | oral | 38500ug/kg (38.5mg/kg) | Gendai no Rinsho. Vol. 1, Pg. 349, 1967. | |
mouse | LD50 | subcutaneous | 610ug/kg (0.61mg/kg) | Gendai no Rinsho. Vol. 1, Pg. 349, 1967. | |
rat | LD50 | intraperitoneal | 270ug/kg (0.27mg/kg) | BEHAVIORAL: MUSCLE WEAKNESS LUNGS, THORAX, OR RESPIRATION: DYSPNEA | Gendai no Rinsho. Vol. 1, Pg. 349, 1967. |
rat | LD50 | oral | 27600ug/kg (27.6mg/kg) | Oyo Yakuri. Pharmacometrics. Vol. 3, Pg. 390, 1969. | |
rat | LD50 | subcutaneous | 280ug/kg (0.28mg/kg) | Oyo Yakuri. Pharmacometrics. Vol. 3, Pg. 390, 1969. |
Poison by ingestion, intraperitoneal, subcutaneous, and intravenous routes. Used as a skeletal muscle relaxant. When heated to decomposition it emits very toxic fumes of NOx and Cl−. See also ALLYL COMPOUNDS.
Alcuronium chloride ,its CAS NO. is 15180-03-7,the synonyms is 4,4'-Didemethyl-4,4'-di-2-propenyltoxiferine I dichloride ; Alloferin ; Allyl-toxiferin ; Chlorure d'alcuronium ; Dialferin ; Diallylnortoxiferine dichloride ; EINECS 239-229-8 ; N,N'-Diallylnortoxiferinium dichloride ; Ro 4-3816 ; Toxiferine I, 4,4'-didemethyl-4,4'-di-2-propenyl-, dichloride ; UNII-490DW6501Y ; 10H,21H-1,21:10,12-Diethano-19aH,20bH-dipyrrolo(1,2f:3',2'-f')(1,5)diazocino(3,2,1-jk:7,6,5-j'k')dicarbazolium, 2,3,11,11a,13,14,22,22a-octahydro-23,26-bis(2-hydroxyethylidene)-1,12-di-2-propenyl)-, dichloride,
(1R,3aS,10S,11aS,12R,14aS,19aS,20bS,21S,22aS,23E,26E)- ; Nortoxiferinium, N,N'-diallyl-, dichloride .
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