ChemicalBook--->CAS DataBase List--->76630-71-2

76630-71-2

76630-71-2 Structure

76630-71-2 Structure
IdentificationBack Directory
[Name]

NALTREXONE-3-GLUCURONIDE
[CAS]

76630-71-2
[Synonyms]

NALTREXONE-3-GLUCURONIDE
Naltrexone-3-β-D-glucuronide
Naltrexone 3-O--D-Glucuronide
Naltrexone 3-O-β-D-Glucuronide
Naltrexone 3-O-b-D-Glucuronide
Naltrexone 3-O-β-D-Glucuronide (1.0 mg/ml in Methanol)
(5a)-17-(Cyclopropylmethyl)-4,5-epoxy-14-hydroxy-6-oxomorphinan-3-yl -D-Glucopyranosiduronic Acid
(5α)-17-(CyclopropylMethyl)-4,5-epoxy-14-hydroxy-6-oxoMorphinan-3-yl β-D-Glucopyranosiduronic Acid
β-D-Glucopyranosiduronic acid, (5α)-17-(cyclopropylmethyl)-4,5-epoxy-14-hydroxy-6-oxomorphinan-3-yl
(5a)-17-(Cyclopropylmethyl)-4,5-epoxy-14-hydroxy-6-oxomorphinan-3-yl b-D-Glucopyranosiduronic Acid
[Molecular Formula]

C26H31NO10
[MDL Number]

MFCD00878773
[MOL File]

76630-71-2.mol
[Molecular Weight]

517.53
Chemical PropertiesBack Directory
[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 DataBack Directory
[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 InformationBack Directory
[Chemical Properties]

Off-White Solid
[Uses]

Naltrexone 3-O-β-D-Glucuronide is a metabolite of Naltrexone. It is used in treatment of alcoholism.
[Definition]

ChEBI: Naltrexone-3-glucuronide is a glycoside.
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