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Substance Name: 3-O-Demethylistamycin B sesquicarbonate
RN: 77398-04-0
InChIKey: ISYVKPVGIMUZHS-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C32-H66-N10-O10.3C-H2-O3

Molecular Weight

  • 937.0048
 
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Names and Synonyms

Results Name

  • 3-O-Demethylistamycin B sesquicarbonate

Synonym

  • 3-O-Demethylistamycin B sesquicarbonate

Systematic Name

  • D-allo-Inositol, 2-amino-5-((aminoacetyl)methylamino)-1-O-(2-amino-2,3,4,6-tetradeoxy-6-(methylamino)-alpha-D-erythro-hexopyranosyl)-2,3,5-trideoxy-, carbonate (2:3) (salt)

Registry Numbers

CAS Registry Number

  • 77398-04-0

System Generated Number

  • 0077398040

Molecular Formulas

Molecular Formula

  • C32-H66-N10-O10.3C-H2-O3

Molecular Formula Fragments

  • C-H2-O3
  • C32-H66-N10-O10
  • COMPONENT

Structure Descriptors

InChI

1S/2C16H33N5O5.3CH2O3/c2*1-20-7-8-3-4-9(18)16(25-8)26-15-10(19)5-11(22)13(14(15)24)21(2)12(23)6-17;3*2-1(3)4/h2*8-11,13-16,20,22,24H,3-7,17-19H2,1-2H3;3*(H2,2,3,4)

InChIKey

ISYVKPVGIMUZHS-UHFFFAOYSA-N

Smiles

CNCC1CCC(C(O1)OC2C(CC(C(C2O)N(C)C(=O)CN)O)N)N.CNCC1CCC(C(O1)OC2C(CC(C(C2O)N(C)C(=O)CN)O)N)N.C(=O)(O)O.C(=O)(O)O.C(=O)(O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD intravenous > 160mg/kg (160mg/kg)   Journal of Antibiotics. Vol. 33, Pg. 1577, 1980.