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Substance Name: 1-N-(4-Guanidino-2-hydroxybutyryl)kanamycin
RN: 136345-19-2
InChIKey: JTZPFBIQOWYRKO-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C23-H45-N7-O13.2H2-O4-S

Molecular Weight

  • 823.8001
 
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Names and Synonyms

Results Name

  • 1-N-(4-Guanidino-2-hydroxybutyryl)kanamycin

Synonym

  • 1-N-(4-Guanidino-2-hydroxybutyryl)kanamycin

Systematic Name

  • D-Streptamine, O-3-amino-3-deoxy-alpha-D-glucopyranosyl-(1-6)-O-(6-amino-6-deoxy-alpha-D-glucopyranosyl-(1-4))-N1-(4-((aminoiminomethyl)amino)-2-hydroxy-1-oxobutyl)-2-deoxy-, (S)-, sulfate (1:2) (salt)

Registry Numbers

CAS Registry Number

  • 136345-19-2

System Generated Number

  • 0136345192

Molecular Formulas

Molecular Formula

  • C23-H45-N7-O13.2H2-O4-S

Molecular Formula Fragments

  • C23-H45-N7-O13
  • COMPONENT
  • H2-O4-S

Structure Descriptors

InChI

1S/C23H45N7O13.2H2O4S/c24-4-9-13(34)15(36)16(37)22(40-9)42-18-6(25)3-7(30-20(39)8(32)1-2-29-23(27)28)19(17(18)38)43-21-14(35)11(26)12(33)10(5-31)41-21;2*1-5(2,3)4/h6-19,21-22,31-38H,1-5,24-26H2,(H,30,39)(H4,27,28,29);2*(H2,1,2,3,4)

InChIKey

JTZPFBIQOWYRKO-UHFFFAOYSA-N

Smiles

C1C(C(C(C(C1NC(=O)C(CCNC(=N)N)O)OC2C(C(C(C(O2)CO)O)N)O)O)OC3C(C(C(C(O3)CN)O)O)O)N.OS(=O)(=O)O.OS(=O)(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 224mg/kg (224mg/kg)   Journal of Antibiotics. Vol. 44, Pg. 646, 1991.