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Tubocurarine

Tubocurarine structure

CAS No:
57-94-3
Formula:
C37H41N2O6.ClH.Cl
Chemical Name:
Tubocurarine
Synonyms:
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-9,19-dihydroxy-18,29-dimethoxy-1,14,14-trimethyl-,chloride,hydrochloride (1:1:1),(13aR,25aS)-;Tubocurarine,chloride,hydrochloride,(+)-;Tubocuraranium,7′,12′-dihydroxy-6,6′-dimethoxy-2,2′,2′-trimethyl-,chloride,hydrochloride;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-9,19-dihydroxy-18,29-dimethoxy-1,14,14-trimethyl-,chloride,hydrochloride,(13aR,25aS)-;13H-4,6:21,24-Dietheno-8,12-metheno-1H-pyrido[3′,2′:14,15][1,11]dioxacycloeicosino[2,3,4-ij]isoquinoline,tubocuraranium deriv.;Amerizol;d-Paracurarine chloride;Tubarine;(+)-Tubocurarine chloride;d-Tubocurarine chloride;d-Tubocurarine dichloride;Delacurarine;Tubadil;Tubocurarine chloride;Dextrotubocurarine chloride;d-Tubocurarine hydrochloride;Tubocurarine hydrochloride;(+)-Tubocurarine hydrochloride;Tubocurarine;Intocostrine T;Amelizol;(+)-Tubocurarine dichloride;d-Tubocurarine;D-Tubocurarine;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-9,19-dihydroxy-18,29-dimethoxy-1,14,14-trimethyl-,chloride,hydrochloride,[13aR-(13aR*,25aS*)]-;d-(+)-Tubocurarine chloride;Curarin HAF;Introcostrin;303-11-7;1406-69-5;29132-50-1;64780-74-1
Categories:
Active Pharmaceutical Ingredients > Anesthetic Agents

Description

White to light-tan crystalline alkaloid; odorless. Mp 270C with decomposition. Soluble in water and alcohol; insoluble in acetone, chloroform, and ether; aqueous solution is strongly dextrorotatory (specific rotation for 1% solution of anhydrous ?208 to +218 degrees).

Tubocurarine Basic Attributes

Molecular Weight：

681.65

Exact Mass：

680.24200

EC Number：

200-356-9

Characteristics

PSA：

80.62000

XLogP3：

4.40370

Density：

0.94

Melting Point：

270 °C (decomp)

Boiling Point：

174.4 °C

Flash Point：

55 °C

Refractive Index：

1.4585-1.4615

Storage Conditions：

2-8°C

Toxicity：

Oral-rat LD50: 28 mg/kg; Oral-Mouse LD50: 33 mg/kg

Flammability characteristics：

Combustible; Fire breaks down toxic nitrogen oxide fumes

Specific rotation：

D20-25 +215° (c = 0.25-0.3 g/100 ml)

Safety Information

Packing level：

III

Hazard category：

6.1(b)

Transport codes：

UN 1544 6.1/PG 2

wgk germany：

hazard class code：

safety instructions：

RTECS Number：

YO4900000

Marks：

Storage features：

The warehouse is ventilated, low temperature and dry; stored and transported separately from food materials

Toxicity

Toxicity class：

most toxic

Tubocurarine Use and Manufacturing

Neuromuscular blocking agent.

Computed Properties

Molecular Weight:609.7
XLogP3:6
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:2
Exact Mass:609.29646203
Monoisotopic Mass:609.29646203
Topological Polar Surface Area:80.6
Heavy Atom Count:45
Formal Charge:1
Complexity:990
Undefined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes