chempirical

Meglumine

C7H17NO5CAS 6284-40-8195.21 g/mol

Open in Covalent MOL file
NHOHOHOHOHOH
AlcoholSecondary amine

Properties

Molecular formula
C7H17NO5
Molar mass
195.21 g/mol
Exact mass
195.1107 Da
Melting point
128.5 °C
logP
-3.36Crippen estimate
Polar surface area
113.2 Ų
H-bond donors / acceptors
6 / 6
Rotatable bonds
6
Stereocentres
S, R, R, Rin SMILES atom order

Identifiers

CAS number
6284-40-8
SMILES
CNC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO
InChIKey
MBBZMMPHUWSWHV-BDVNFPICSA-N
InChI
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

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

18 names · show all
  • D-Glucitol, 1-deoxy-1-(methylamino)-
  • Glucitol, 1-deoxy-1-(methylamino)-, D-
  • Sorbitol, 1-deoxy-1-methylamino-
  • 1-Deoxy-1-(methylamino)-D-glucitol
  • N-Methyl-D-glucamine
  • N-Methylglucamine
  • Methylglucamine
  • 1-Deoxy-1-methylaminosorbitol
  • Meglumin
  • Methylglucamin
  • D-(-)-N-Methylglucamine
  • N-Methyl-D(-)-glucamine
  • N-Methylsorbitylamine
  • NSC 52907
  • NSC 7391
  • (2R,3R,4R,5S)-6-Methylaminohexane-1,2,3,4,5-pentaol
  • N,N-Methyl-2,7-octadienylglucamine
  • Emprove

Work with Meglumine

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Sorbitol50-70-461 % similar Galactitol608-66-261 % similar Mannitol69-65-861 % similar Dl-mannitol87-78-561 % similar N-Ethylglucamine14216-22-960 % similar Ribitol488-81-354 % similar D-Arabitol488-82-454 % similar Arabitol7643-75-654 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia