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| CAS No.: | 5152-30-7 |
|---|---|
| Name: | metocurine |
| Molecular Structure: | |
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| Formula: | C40H48 N2 O6 |
| Molecular Weight: | 652.90 |
| Synonyms: | Chondrocurarine,O,O'-dimethyl- (8CI);Tubocuraranium,6,6',7',12'-tetramethoxy-2,2,2',2'-tetramethyl-;13H-4,6:21,24-Dietheno-8,12-metheno-1H-pyrido[3',2':14,15][1,11]dioxacycloeicosino[2,3,4-ij]isoquinolinium,2,3,13a,14,15,16,25,25a-octahydro-9,18,19,29-tetramethoxy-1,1,14,14-tetramethyl-,[13aR-(13aR*,25aS*)]-;Dimethylchondrocurarine;Metocurine;O,O-Dimethylchondrocurarine; |
| Density: | g/cm3 |
| Boiling Point: | °Cat760mmHg |
| Flash Point: | °C |
| Safety: | Poison by intravenous route. When heated to decomposition it emits toxic fumes of NOx. |
| PSA: | 55.38000 |
| LogP: | 7.36920 |
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Chemistry
Empirical Formula: C40H48N2O6+2
Molecular Weight: 652.8178
Structure of Metocurine (CAS NO.5152-30-7):
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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
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
InChI: InChI=1S/C40H48N2O6/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/q+2/t31-,32+/m0/s1
InChIKey: JFXBEKISTKFVAB-AJQTZOPKSA-N
Toxicity Data With Reference
| 1. | ivn-dog LD50:120 µg/kg | RISSAF Rendiconti Istituto Superiore di Sanita (Italian Edition). 13 (1950),339. | ||
| 2. | ivn-rbt LD50:35 µg/kg | RISSAF Rendiconti Istituto Superiore di Sanita (Italian Edition). 13 (1950),339. |
Safety Profile
Poison by intravenous route. When heated to decomposition, Metocurine (CAS NO.5152-30-7) emits toxic fumes of NOx.
Specification
Metocurine , its cas register number is 5152-30-7. It also can be called O,O'-Dimethyltubocurarine ; Chondrocurarine, O,O'-dimethyl- (8CI) ; Tubocuraranium, 6,6',7',12'-tetramethoxy-2,2,2',2'-tetramethyl- (9CI) ; and 13H-4,6:21,24-Dietheno-8,12-metheno-1H-pyrido[3',2':14,15][1,11]dioxacycloeicosino[2,3,4-ij]isoquinolinium, 2,3,13a,14,15,16,25,25a-octahydro-9,18,19,29-tetramethoxy-1,1,14,14-tetramethyl-, (13aR,25aS)- . Metocurine (CAS NO.5152-30-7) is a muscle relaxant through neuromuscular blockade.