Ketcher 03141616582D 1   1.00000     0.00000     0

 14 12  0     0  0            999 V2000
    9.7899   -4.5319    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7899   -5.5319    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5220   -4.5319    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6559   -6.0319    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.5220   -5.5319    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6559   -4.0319    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3879   -4.0319    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2540   -4.5319    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9239   -6.0319    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9239   -4.0319    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6559   -3.0318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7899   -2.5318    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.8437   -6.0002    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   12.8678   -6.8436    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
 10  1  1  0     0  0
  2  1  2  0     0  0
  9  2  1  0     0  0
  7  3  1  0     0  0
  2  4  1  0     0  0
  3  5  1  0     0  0
  5  4  2  0     0  0
  1  6  1  0     0  0
  6  3  2  0     0  0
 11  6  1  0     0  0
  8  7  1  0     0  0
 11 12  1  0     0  0
M  END
> <ID>
CHEBI:131532

> <NAME>
pyridoxamine dihydrochloride

> <DEFINITION>
A hydrochloride obtained by combining pyridoxamine with two molar equivalents of hydrochloric acid. Used for treatment of diabetic nephropathy.

> <STAR>
3

> <SYNONYM>
Pyridoxylamine dihydrochloride; Pyridoxamine dichlorohydrate; pyridoxamine 2HCl; 4-(Aminomethyl)-5-hydroxy-6-methyl-3-pyridinemethanol dihydrochloride; 2-Methyl-3-hydroxy-4-aminomethyl-5-hydroxymethylpyridene dihydrochloride

> <IUPAC_NAME>
4-(azaniumylmethyl)-3-hydroxy-5-(hydroxymethyl)-2-methylpyridin-1-ium dichloride; 4-(aminomethyl)-5-(hydroxymethyl)-2-methylpyridin-3-ol dihydrochloride

> <FORMULA>
C8H14Cl2N2O2

> <MASS>
241.115

> <MONOISOTOPIC_MASS>
240.04323

> <CHARGE>
0

> <SMILES>
C1(O)=C(C)N=CC(CO)=C1CN.Cl.Cl

> <INCHI>
InChI=1S/C8H12N2O2.2ClH/c1-5-8(12)7(2-9)6(4-11)3-10-5;;/h3,11-12H,2,4,9H2,1H3;2*1H

> <INCHIKEY>
HNWCOANXZNKMLR-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
524-36-7

> <REAXYS_REGISTRY_NUMBER>
3632748

> <CHEMIDPLUS>
524-36-7

> <WIKIPEDIA_ACCESSION>
Pyridoxamine

> <PUBMED_CITATION>
25532068

$$$$