Meglumin

N-METHYL-D-GLUCAMINE · N-METHYLGLUCAMINE · Methylglucamine · Meglumin · 1-deoxy-1-(methylamino)-d-glucito · (2R,3R,4R,5S)-6-(MethylaMino)hexane-1,2,3,4,5-pentaol · 1-DEOXY-1-(METHYLAMINO)-D-GLUCITOL · MeguMine

https://huagongshe.com/de/chemical/8567

Identifikatoren & physikalische Daten

CAS No.	6284-40-8
Summenformel	C7H17NO5
Durchschnittliche Molmasse	195,21 g/mol
Monoisotopische Masse	195,11067264 g/mol
SMILES	CNC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO
InChIKey	MBBZMMPHUWSWHV-BDVNFPICSA-N
PubChem CID	8567
ChEMBL	CHEMBL1200570
ChEBI	CHEBI:59732
EC No.	228-506-9
DTXSID	DTXSID0023244
Lokaler Name	Meglumin

Chemische & physikalische Eigenschaften

XLogP	-2,8
Polarare Oberfläche (TPSA)	113
H-Brücken-Donoren	6
H-Brücken-Akzeptoren	6
Frei drehbare Bindungen	6
Schwere Atome	13
Formalladung	0
Komplexität	134
Arzneimittel	Pharmaceuticals -> Listed in ZINC15
Kosmetika	Hair conditioning
Human Drugs	FDA approved drugs -> Active ingredient
Animal Drugs	Pharmaceuticals -> UK Veterinary Medicines Directorate List
Physical Description	Dry PowderLiquid
Dissociation Constants	9.6
Collision Cross Section	141.3 Å² [M+H]+ [CCS Type: DTBuffer gas: N2Ionization: ESI+Dataset: TOXCASTSource Identifier: DTXSID0023244]134.31 Å² [M+H-H2O]+ [CCS Type: TWMethod: calibrated with polyalanine and drug standards]139 Å² [M+H]+ [CCS Type: TW
Schmelzpunkt	129-131.5 °C (lit.)
Siedepunkt	331.88°C (rough estimate)
Dichte	1.2669 (rough estimate)
Brechungsindex	-16.5 ° (C=2, H2O)
Lagerbedingungen	2-8°C
Löslichkeit	H2O: 0.1 g/mL, clear, colorless100 g/100 mL (25 ºC)
Aggregatzustand	Crystalline Powder
pKa (Säurekonstante)	pKa 9.39(H2O,t =30.0,I=0.05N2)(Approximate)
Farbe	White to almost white
pH	11 (10g/l, H2O, 20℃)
Biologische Quelle	synthetic (organic)
Merck	14,6078
BRN	385906
Hauptanwendungen	pharmaceutical (small molecule)
Kosmetik-Inhaltsstoffe Funktionen	HAIR CONDITIONING
InChI	1S/C7H17NO5/c1-8-2-4(10)6(12)7(13)5(11)3-9/h4-13H,2-3H2,1H3/t4-,5+,6+,7+/m0/s1
InChIKey	MBBZMMPHUWSWHV-VZFHVOOUSA-N
SMILES	CNC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO
LogP (Verteilungskoeffizient)	-3.370 (est)
NIST chemische Informationen	N-methylglucamine(6284-40-8)
EPA chemische Informationen	Meglumine (6284-40-8)

Sicherheit & Vorschriften

GHS-Einstufung	This chemical does not meet GHS hazard criteria for 93.4% (425 of 455) of all reports.Not ClassifiedAggregated GHS information provided per 455 reports by companies from 7 notifications to the ECHA C&L Inventory.
Regulatorische Informationen	Chemical: D-Glucitol, 1-deoxy-1-(methylamino)-D-Glucitol, 1-deoxy-1-(methylamino)- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of D-Glucitol, 1-deoxy-1-(methylamino)- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)Status: Active Update: 13-02-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/18480Meglumine: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and Categories	Not Classified
F	3-10-23
Wassergefährdungsklasse (WGK)	3
TSCA-Inventar-Status	TSCA listed
Zollcode	29221980
R-Sätze (R)	36/37/38
Toxizität	LD50 orally in Rabbit: > 5000 mg/kg
Sicherheitshinweise (S)	24/25
Lagerklasse	11 - Combustible Solids
Selbstentzündungstemperatur	~662 °F

Anwendungen & Verwendung

Verwenden

N-Methyl-D-glucamine is used in conjunction with iodinated organic compounds in contrast media viz. diatrizoate meglumine and iodipamide meglumine. It is useful in ion-exchange resins to chelate boron ions selectively. It is also used as an excipient in pharmaceuticals, in cosmetics and X-ray contrast media. It is also employed in the synthesis of surface active agents, pharmaceuticals and dyes.