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Substance Name: Colistin nonapeptide hydrochloride
RN: 52396-32-4
InChIKey: IDTSHEDVGPKYSP-UHFFFAOYSA-N

Molecular Formula

  • C40-H76-N14-O11.Cl-H

Molecular Weight

  • 965.5883
 
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Names and Synonyms

Results Name

  • Colistin nonapeptide hydrochloride

Synonyms

  • 1-De(N(sup 2)-(6-methyl-1-oxooctyl)-L-2,4-diaminobutanoic acid)polymyxin E1 hydrochloride
  • Colistin nonapeptide hydrochloride

Systematic Name

  • Polymyxin E1, 1-de(N(sup 2)-(6-methyl-1-oxooctyl)-L-2,4-diaminobutanoic acid)-, hydrochloride

Registry Numbers

CAS Registry Number

  • 52396-32-4

System Generated Number

  • 0052396324

Molecular Formulas

Molecular Formula

  • C40-H76-N14-O11.Cl-H

Molecular Formula Fragments

  • C40-H76-N14-O11
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C40H76N14O11.ClH/c1-19(2)17-28-37(62)49-23(7-12-41)32(57)48-26(10-15-44)36(61)54-31(22(6)56)40(65)46-16-11-27(50-33(58)25(9-14-43)51-39(64)30(45)21(5)55)35(60)47-24(8-13-42)34(59)52-29(18-20(3)4)38(63)53-28;/h19-31,55-56H,7-18,41-45H2,1-6H3,(H,46,65)(H,47,60)(H,48,57)(H,49,62)(H,50,58)(H,51,64)(H,52,59)(H,53,63)(H,54,61);1H

InChIKey

IDTSHEDVGPKYSP-UHFFFAOYSA-N

Smiles

CC(C)CC1C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NCCC(C(=O)NC(C(=O)N1)CCN)NC(=O)C(CCN)NC(=O)C(C(C)O)N)C(C)O)CCN)CCN)CC(C)C.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 145mg/kg (145mg/kg)   Agricultural and Biological Chemistry. Vol. 37, Pg. 2709, 1973.