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Substance Name: Penta-N-benzylaminosidin
RN: 42207-50-1
InChIKey: BFAKEIAVBRGVST-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C58-H75-N5-O14.5H2-O

Molecular Weight

  • 1066.2515
 
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Names and Synonyms

Results Name

  • Penta-N-benzylaminosidin

Synonym

  • Penta-N-benzylaminosidin

Systematic Name

  • D-Streptamine, O-2-deoxy-2-((phenylmethyl)amino)-alpha-D-glucopyranosyl-(1-4)-O-(O-2,6-dideoxy-2,6-bis((phenylmethyl)amino)-beta-L-idopyranosyl-(1-3)-beta-D-ribofuranosyl-(1-5))-2-deoxy-N,N'-bis(phenylmethyl)-, pentahydrate

Registry Numbers

CAS Registry Number

  • 42207-50-1

System Generated Number

  • 0042207501

Molecular Formulas

Molecular Formula

  • C58-H75-N5-O14.5H2-O

Molecular Formula Fragments

  • C58-H75-N5-O14
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C58H75N5O14/c64-33-43-49(68)51(70)46(63-31-39-24-14-5-15-25-39)57(73-43)75-53-41(61-29-37-20-10-3-11-21-37)26-40(60-28-36-18-8-2-9-19-36)47(66)55(53)77-58-52(71)54(44(34-65)74-58)76-56-45(62-30-38-22-12-4-13-23-38)50(69)48(67)42(72-56)32-59-27-35-16-6-1-7-17-35/h1-25,40-71H,26-34H2

InChIKey

BFAKEIAVBRGVST-UHFFFAOYSA-N

Smiles

c1ccc(cc1)CNCC2C(C(C(C(O2)OC3C(OC(C3O)OC4C(C(CC(C4OC5C(C(C(C(O5)CO)O)O)NCc6ccccc6)NCc7ccccc7)NCc8ccccc8)O)CO)NCc9ccccc9)O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 subcutaneous > 1gm/kg (1000mg/kg)   Chemical and Pharmaceutical Bulletin. Vol. 21, Pg. 609, 1973.