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Famotidine Structure

Famotidine

Chemical Properties

Melting point 163-164°C
Boiling point 562.7±60.0 °C(Predicted)
Density  1.5111 (rough estimate)
refractive index  1.7400 (estimate)
storage temp.  2-8°C
solubility  Very slightly soluble in water, freely soluble in glacial acetic acid, very slightly soluble in anhydrous ethanol, practically insoluble in ethyl acetate. It dissolves in dilute mineral acids
pka pKa 6.76(H2O t=23.0) (Uncertain)
color  White to Off-White
Water Solubility  1.1 mg/mL
BCS Class 3
Stability Light Sensitive
InChI InChI=1S/C8H15N7O2S3/c9-6(15-20(12,16)17)1-2-18-3-5-4-19-8(13-5)14-7(10)11/h4H,1-3H2,(H2,9,15)(H2,12,16,17)(H4,10,11,13,14)
InChIKey XUFQPHANEAPEMJ-UHFFFAOYSA-N
SMILES C(NS(N)(=O)=O)(=N)CCSCC1=CSC(NC(N)=N)=N1
CAS DataBase Reference 76824-35-6(CAS DataBase Reference)
EPA Substance Registry System Propanimidamide, 3-[[[2-[(aminoiminomethyl)amino]-4-thiazolyl]methyl]thio]-N-(aminosulfonyl)- (76824-35-6)

Safety Information

Hazard Codes  T
Risk Statements  20/21/22-45-61
Safety Statements  22-24/25-53-45-36/37/39
WGK Germany  2
RTECS  UA2300000
HS Code  29341000
Hazardous Substances Data 76824-35-6(Hazardous Substances Data)
Toxicity LD50 i.v. in mice: 244.4 mg/kg (Yasufumi)

MSDS

Usage And Synthesis

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