Meglumine - PharmPure™, USP , CAS No.6284-40-8

CAS: 6284-40-8 Cat. No.: M433157 Formula: C₇H₁₇NO₅ Molecular Weight: 195.21 Beilstein Registry Number: 385906 EC Number: 228-506-9

GRADE & PURITY PharmPure™, USP

Synonyms

Z1255485274 | 6HG8UB2MUY | A834035 | Meglumine 100 microg/mL in Acetonitrile | CAS-6284-40-8 | Meglumine (JP17/USP/INN) | MEGLUMINE [II] | AB00430469-03 | Meglumine, Pharmaceutical Secondary Standard; Certified Reference Material | Megluminum [INN-Latin]

Storage

Protected from light,Room temperature

Shipped In

Normal

Overview

N-Methyl-D-glucamine, also known as Meglumine, is a sorbitol-derived amino sugar. It acts as a catalyst in one-pot synthesis of pyranopyrazole derivatives.

Specifications

Synonyms

Z1255485274 | 6HG8UB2MUY | A834035 | Meglumine 100 microg/mL in Acetonitrile | CAS-6284-40-8 | Meglumine (JP17/USP/INN) | MEGLUMINE [II] | AB00430469-03 | Meglumine, Pharmaceutical Secondary Standard; Certified Reference Material | Megluminum [INN-Latin]

Specifications & Purity

PharmPure™, USP

Storage

Protected from light,Room temperature

Shipped In

Normal

Grade

PharmPure™, USP

Names and Identifiers

Pubchem Sid

528775553

Canonical Smiles

CNCC(C(C(C(CO)O)O)O)O

IUPAC Name

(2R,3R,4R,5S)-6-(methylamino)hexane-1,2,3,4,5-pentol

InChIKey

MBBZMMPHUWSWHV-BDVNFPICSA-N

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

Isomeric SMILES

CNC[C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O

WGK Germany

3

Alternate CAS

90191-92-7

Molecular Weight

195.21

Beilstein

385906

Reaxy-Rn

2324336

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2324336&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Class Organooxygen compounds
      • Subclass Carbohydrates and carbohydrate conjugates
        • Level5 Monosaccharides
          • Level6 Hexoses

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Class: Organooxygen compounds
• Subclass: Carbohydrates and carbohydrate conjugates
• Intermediate Tree Nodes: Monosaccharides
• Direct Parent: Hexoses
• Alternative Parents: 1,3-aminoalcohols Secondary alcohols 1,2-aminoalcohols Polyols Dialkylamines Primary alcohols Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Hexose monosaccharide - 1,3-aminoalcohol - Secondary alcohol - 1,2-aminoalcohol - Secondary amine - Polyol - Secondary aliphatic amine - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Primary alcohol - Organonitrogen compound - Amine - Alcohol - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as hexoses. These are monosaccharides in which the sugar unit is a is a six-carbon containing moeity.
• External Descriptors: secondary amino compound - hexosamine

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Associated Targets(Human)

ADRB1 Tclin Adrenergic receptor beta (1214 Activities)

Discover Target: ADRB1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Associated Targets(non-human)

Hdac6 Histone deacetylase 6 (222 Activities)

Discover Target: Hdac6

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Chemical and Physical Properties

• Sensitivity: Light sensitive
• Specific Rotation[α]: -16.5 ° (C=2, H2O)
• Boil Point(°C): 210 °C/1013 hPa
• Melt Point(°C): 129-131.5 °C (lit.)
• Molecular Weight: 195.210 g/mol
• XLogP3: -2.800
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 6
• Exact Mass: 195.111 Da
• Monoisotopic Mass: 195.111 Da
• Topological Polar Surface Area: 113.000 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 134.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 4
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1