Marvin  07121017002D          

 13 12  0  0  1  0            999 V2000
   12.5188   -4.3563    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   11.8467   -4.7808    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   11.1392   -4.3563    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.4318   -4.7808    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.7243   -4.3563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1909   -4.7808    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8467   -5.5590    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1392   -3.5428    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.4318   -5.5590    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0168   -4.7808    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.9337   -4.3563    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.5188   -3.5428    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.6058   -4.7808    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  6  1  1  0  0  0  0
  1 12  1  1  0  0  0
  3  2  1  0  0  0  0
  2  7  1  1  0  0  0
  4  3  1  0  0  0  0
  3  8  1  1  0  0  0
  5  4  1  0  0  0  0
  4  9  1  6  0  0  0
 10  5  1  0  0  0  0
 11  6  1  0  0  0  0
 13 11  1  0  0  0  0
M  END
> <ID>
CHEBI:59732

> <NAME>
N-methylglucamine

> <DEFINITION>
A  hexosamine that is D-glucitol in which the hydroxy group at position 1 is substituted by the nitrogen of a methylamino group. A crystalline base, it is used in preparing salts of certain acids for use as diagnostic radiopaque media, while its antimonate is used as an antiprotozoal in the treatment of leishmaniasis.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:31811

> <SYNONYM>
N-methyl-D-glucamine; 1-deoxy-1-methylaminosorbitol

> <IUPAC_NAME>
1-deoxy-1-(methylamino)-D-glucitol

> <INN>
megluminum; meglumine; meglumine; meglumina

> <FORMULA>
C7H17NO5

> <MASS>
195.21360

> <MONOISOTOPIC_MASS>
195.11067

> <CHARGE>
0

> <SMILES>
CNC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO

> <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

> <INCHIKEY>
MBBZMMPHUWSWHV-BDVNFPICSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
385906

> <CAS_REGISTRY_NUMBER>
6284-40-8

> <REAXYS_REGISTRY_NUMBER>
385906

> <CHEMIDPLUS>
6284-40-8

> <KEGG_DRUG_ACCESSION>
D01796

> <LINCS_ACCESSION>
LSM-5424

> <WIKIPEDIA_ACCESSION>
Meglumine

> <PUBMED_CITATION>
24257040; 24273165

$$$$