Naltrexone methylbromide CAS#: 73232-52-7 • ChemWhat | Database of Chemicals & Biologicals

Naltrexone methylbromide CAS#: 73232-52-7; 凯望编码 (ChemWhat Code): 1117114

Identification	Physical Data	Spectra
Route of Synthesis (ROS)	Safety and Hazards	Other Data

Patent Information
Patent ID	Title	Publication Date
EP3498694	NEW BENZAMIDE DERIVATIVES AS PPAR-GAMMA MODULATORS	2019
WO2019/126730	CHROMENOPYRIDINE DERIVATIVES AS PHOSPHATIDYLINOSITOL PHOSPHATE KINASE INHIBITORS	2019
US2018/230157	PYRROLO[1,2-b]PYRIDAZINE DERIVATIVES	2018
WO2018/169373	PYRROLOTRIAZINE DERIVATIVES AS KINASE INHIBITOR	2018
WO2018/203194	DIAZABICYCLOOCTANE DERIVATIVES COMPRISING A QUATERNERY AMMONIUM GROUP FOR USE AS ANTIBACTERIAL AGENTS	2018

Melting Point, °C

262

Description (NMR Spectroscopy)	Nucleus (NMR Spectroscopy)	Solvents (NMR Spectroscopy)	Frequency (NMR Spectroscopy), MHz
Chemical shifts	1H	dimethylsulfoxide-d6	300
Chemical shifts	13C	dimethylsulfoxide-d6	75
Chemical shifts	1H	CD3OD
Chemical shifts	13C	CD3OD

Description (Mass Spectrometry)

spectrum

electrospray ionisation (ESI), spectrum

LCMS (Liquid chromatography mass spectrometry), Spectrum

Tandem mass spectrometry, Spectrum

Description (UV/VIS Spectroscopy)	Absorption Maxima (UV/VIS), nm
Spectrum	285

Conditions	Yield
With triethylamine In dichloromethane at -10 – 20℃; for 2h;	86%
With triethylamine In dichloromethane at -10 – 20℃; for 2h;	86%

Pictogram(s)
Signal	Danger
GHS Hazard Statements	H30H301 (66.7%): Toxic if swallowed [Danger Acute toxicity, oral] H302 (31.6%): Harmful if swallowed [Warning Acute toxicity, oral] H312 (29.8%): Harmful in contact with skin [Warning Acute toxicity, dermal] H317 (29.8%): May cause an allergic skin reaction [Warning Sensitization, Skin] H332 (29.8%): Harmful if inhaled [Warning Acute toxicity, inhalation] H334 (29.8%): May cause allergy or asthma symptoms or breathing difficulties if inhaled [Danger Sensitization, respiratory] H400 (66.7%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard] Information may vary between notifications depending on impurities, additives, and other factors.
Precautionary Statement Codes	P233, P260, P261, P264, P270, P271, P272, P273, P280, P284, P301+P316, P301+P317, P302+P352, P304+P340, P317, P321, P330, P333+P317, P342+P316, P362+P364, P391, P403, P405, and P501 (The corresponding statement to each P-code can be found at the GHS Classification page.)

Transportation	NONH for all modes of transport
	Under the room temperature and away from light
HS Code	No data available
Storage	Under the room temperature and away from light
Shelf Life	2 years
Market Price	USD

Use Pattern

Pharmaceuticals

reducing gut permeability

treating Crohn’s disease

treating ankylosing spondylitis

treating disease or condition associated with increased gut permeability

treating graft versus host disease (GVHD)


认证生产商
Caming Pharmaceutical Ltd	http://www.caming.com/
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其他供应商
Watson International Limited	访问Watson官网

英文名	Naltrexone methylbromide
IUPAC Name	(4R,4aS,7aR,12bS)-3-(cyclopropylmethyl)-4a,9-dihydroxy-3-methyl-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-3-ium-7-one bromide
分子结构
CAS编号	73232-52-7
EINECS Number	No data available
MDL Number	No data available
Beilstein Registry Number	No data available
别名	methylnaltrexone bromideMNTXmethylnaltrexonerelistorbromomethyl naltrexoneN-Methylnaltrexone bromide
分子式	C21H26BrNO4
分子量	436.346
InChI	InChI=1S/C21H25NO4.BrH/c1-22(11-12-2-3-12)9-8-20-17-13-4-5-14(23)18(17)26-19(20)15(24)6-7-21(20,25)16(22)10-13;/h4-5,12,16,19,25H,2-3,6-11H2,1H3;1H/t16-,19+,20+,21-,22+;/m1./s1
InChI Key	IFGIYSGOEZJNBE-LHJYHSJWSA-N
Canonical SMILES	C[N@@+]1(CC2CC2)CC[C@]23c4c5ccc(O)c4O[C@H]2C(=O)CC[C@@]3(O)[C@H]1C5.[Br-]