76630-71-2

Name NALTREXONE-3-GLUCURONIDE
CAS 76630-71-2
Molecular Formula C26H31NO10
MDL Number MFCD00878773
Molecular Weight 517.53
MOL File 76630-71-2.mol
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Chemical Properties

Melting point  >132°C (dec.)
Boiling point  807.661±65.00 °C(Press: 760.00 Torr)(predicted)
density  1.656±0.10 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
storage temp.  Hygroscopic, -20°C Freezer, Under Inert Atmosphere
solubility  Methanol (Slightly)
form  Solid
pka 2.771±0.70(predicted)
color  Off-White to Pale Beige
Major Application forensics and toxicology
InChIKey KCSKQJYZSCIQRR-ODTDCTFRSA-N
SMILES N2([C@H]3[C@]4([C@@]5([C@@H](Oc6c5c(ccc6O[C@@H]7O[C@@H]([C@H]([C@@H]([C@H]7O)O)O)C(=O)O)C3)C(=O)CC4)CC2)O)CC1CC1

Safety Data

WGK Germany  WGK 2
Storage Class 3 - Flammable liquids
Hazard Classifications Acute Tox. 3 Dermal
Acute Tox. 3 Inhalation
Acute Tox. 3 Oral
Flam. Liq. 2
STOT SE 1

Hazard Information

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