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Substance Name: Sperabillin A
RN: 111337-87-2
InChIKey: OQKJNDABNFAQAJ-JDZFPWRWSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C15-H27-N5-O3.2Cl-H

Molecular Weight

  • 398.3321
 
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Names and Synonyms

Results Name

  • Sperabillin A

Synonym

  • Sperabillin A

Systematic Name

  • L-threo-Hexonamide, 3-amino-N-(3-amino-3-iminopropyl)-6-((1-oxo-2,4-hexadienyl)amino)-2,3,4,6-tetradeoxy-, (E,Z)-, dihydrochloride

Registry Numbers

CAS Registry Number

  • 111337-87-2

System Generated Number

  • 0111337872

Molecular Formulas

Molecular Formula

  • C15-H27-N5-O3.2Cl-H

Molecular Formula Fragments

  • C15-H27-N5-O3
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C15H27N5O3.2ClH/c1-2-3-4-5-14(22)20-10-12(21)8-11(16)9-15(23)19-7-6-13(17)18;;/h2-5,11-12,21H,6-10,16H2,1H3,(H3,17,18)(H,19,23)(H,20,22);2*1H/b3-2-,5-4+;;/t11-,12-;;/m1../s1

InChIKey

OQKJNDABNFAQAJ-JDZFPWRWSA-N

Smiles

C/C=C\C=C\C(=O)NC[C@@H](C[C@H](CC(=O)NCCC(=N)N)N)O.Cl.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 200mg/kg (200mg/kg)   Journal of Antibiotics. Vol. 45, Pg. 10, 1992.
mouse LD50 subcutaneous 500mg/kg (500mg/kg)   Journal of Antibiotics. Vol. 45, Pg. 10, 1992.