77337-73-6

Name Acamprosate calcium
CAS 77337-73-6
EINECS(EC#) 278-665-3
Molecular Formula C10H20CaN2O8S2
MDL Number MFCD00886588
Molecular Weight 400.48
MOL File 77337-73-6.mol

Chemical Properties

Appearance White Crystalline Solid
Melting point  >300°C
storage temp.  Room temp
solubility  H2O: >5mg/mL
form  powder
color  White to Off-White
Water Solubility  Soluble in water (100mM)
Usage Of interest for the treatment of alcoholism. Store at-20°C
Merck  14,17
InChI InChI=1S/2C5H11NO4S.Ca/c2*1-5(7)6-3-2-4-11(8,9)10;/h2*2-4H2,1H3,(H,6,7)(H,8,9,10);/q;;+2/p-2
InChIKey BUVGWDNTAWHSKI-UHFFFAOYSA-L
SMILES S([O-])(=O)(=O)CCCNC(C)=O.S([O-])(=O)(=O)CCCNC(=O)C.[Ca+2]
CAS DataBase Reference 77337-73-6(CAS DataBase Reference)

Safety Data

Symbol(GHS)  Exclamation Mark (GHS07)
GHS07
Signal word  Warning
Hazard statements  H315-H319-H335
Precautionary statements  P305+P351+P338-P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
Hazard Codes  Xi
Risk Statements 
R36/37/38:Irritating to eyes, respiratory system and skin .
Safety Statements 
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
S36:Wear suitable protective clothing .
WGK Germany  3
RTECS  TZ6357000
HS Code  29241990
Storage Class 11 - Combustible Solids
Toxicity
LD50 i.p. in male mice: 1.87 g/kg (Durlach, 1982)

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