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78-44-4

Name Carisoprodol
CAS 78-44-4
EINECS(EC#) 201-118-7
Molecular Formula C12H24N2O4
MDL Number MFCD00057661
Molecular Weight 260.33
MOL File 78-44-4.mol

Chemical Properties

Appearance White Solid
Melting point  92-92°C
Boiling point  403.59°C (rough estimate)
density  1.1035 (rough estimate)
refractive index  1.4560 (estimate)
storage temp.  2-8°C
solubility  Very slightly soluble in water, freely soluble in acetone, in alcohol and in methylene chloride.
form  Solid
pka pKa 4.2 (Uncertain)
color  White to Off-White
Water Solubility  <0.1 g/100 mL at 19.5 ºC
Usage Muscle relaxant (skeletal)
BCS Class 2/4
InChI InChI=1S/C12H24N2O4/c1-5-6-12(4,7-17-10(13)15)8-18-11(16)14-9(2)3/h9H,5-8H2,1-4H3,(H2,13,15)(H,14,16)
InChIKey OFZCIYFFPZCNJE-UHFFFAOYSA-N
SMILES C(OCC(COC(N)=O)(C)CCC)(=O)NC(C)C
CAS DataBase Reference 78-44-4(CAS DataBase Reference)
NIST Chemistry Reference Carisoprodol(78-44-4)
EPA Substance Registry System 78-44-4(EPA Substance)

Safety Data

Hazard Codes  Xn
Risk Statements 
R22:Harmful if swallowed.
Safety Statements 
S36:Wear suitable protective clothing .
RTECS  FB3325000
HS Code  29224999
Hazardous Substances Data 78-44-4(Hazardous Substances Data)
Toxicity
LD50 in mice, rats (mg/kg): 2340, 1320 orally; 980, 450 i.p. (Berger)

Hazard Information

Material Safety Data Sheet(MSDS)

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