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Substance Name: Bulgecin A monosodium salt
RN: 95911-30-1
InChIKey: FPNNGWJBNHHJDL-KAEXGCGFSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C16-H29-N3-O14-S2.Na

Molecular Weight

  • 574.5341
 
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Names and Synonyms

Results Name

  • Bulgecin A monosodium salt

Synonym

  • Bulgecin A monosodium salt

Systematic Name

  • Ethanesulfonic acid, 2-((4-O-(2-(acetylamino)-2-deoxy-4-O-sulfo-beta-D-glucopyranosyl)-2,3,5-trideoxy-2,5-imino-D-arabino-hexonoyl)amino)-, monosodium salt

Registry Numbers

CAS Registry Number

  • 95911-30-1

System Generated Number

  • 0095911301

Molecular Formulas

Molecular Formula

  • C16-H29-N3-O14-S2.Na

Molecular Formula Fragments

  • C16-H29-N3-O14-S2
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C16H29N3O14S2.Na/c1-7(22)18-12-13(23)14(33-35(28,29)30)11(6-21)32-16(12)31-10-4-8(19-9(10)5-20)15(24)17-2-3-34(25,26)27;/h8-14,16,19-21,23H,2-6H2,1H3,(H,17,24)(H,18,22)(H,25,26,27)(H,28,29,30);/q;+1/t8-,9+,10+,11-,12-,13-,14-,16-;/m1./s1

InChIKey

FPNNGWJBNHHJDL-KAEXGCGFSA-N

Smiles

CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O[C@H]2C[C@@H]([NH2+][C@H]2CO)C(=O)NCCS(=O)(=O)[O-])CO)OS(=O)(=O)O)O.[Na+]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous > 1gm/kg (1000mg/kg)   Japanese Kokai Tokyo Koho Patents. Vol. #83-8089,