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Substance Name: Racemomycin C, sulfate (salt), hydrate (1:2:4)
RN: 11098-73-0
InChIKey: JPOYRBHBVPTGKY-HVTDEBCTSA-N

Molecular Formula

  • C25-H46-N10-O9.2H2-O4-S.4H2-O

Molecular Weight

  • 826.855
 
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Names and Synonyms

Synonym

  • Racemomycin C sulfate hydrate (1:2:4)

Systematic Name

  • Racemomycin C, sulfate (salt), hydrate (1:2:4)

Registry Numbers

CAS Registry Number

  • 11098-73-0

System Generated Number

  • 0011098730

Molecular Formulas

Molecular Formula

  • C25-H46-N10-O9.2H2-O4-S.4H2-O

Molecular Formula Fragments

  • C25-H46-N10-O9
  • COMPONENT
  • H2-O
  • H2-O4-S

Structure Descriptors

InChI

1S/C25H46N10O9.2H2O4S/c26-5-1-3-11(27)7-15(38)30-6-2-4-12(28)8-16(39)32-19-20(40)21(44-24(29)42)14(10-36)43-23(19)35-25-33-17-13(37)9-31-22(41)18(17)34-25;2*1-5(2,3)4/h9,11-14,17-21,23,25,33-37,40H,1-8,10,26-28H2,(H2,29,42)(H,30,38)(H,32,39);2*(H2,1,2,3,4)/t11?,12?,13-,14-,17+,18-,19-,20+,21+,23-,25-;;/m1../s1

InChIKey

JPOYRBHBVPTGKY-HVTDEBCTSA-N

Smiles

OS(=O)(=O)O.C1([C@H]2[C@H]([C@@H](C=N1)O)N[C@H](N2)N[C@H]1[C@@H]([C@H](O)[C@@H](OC(=O)N)[C@H](O1)CO)NC(C[C@@H](CCCNC(C[C@@H](CCCN)N)=O)N)=O)=O.OS(=O)(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 26mg/kg (26mg/kg)   Chemical and Pharmaceutical Bulletin. Vol. 19, Pg. 1627, 1971.