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Substance Name: Racemomycin A, sulfate (salt), hydrate (2:3:6)
RN: 11098-67-2
InChIKey: SLHUWUZQZDGABF-VSCPOFCISA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C19-H34-N8-O8.3/2H2-O4-S.3H2-O

Molecular Weight

  • 1407.3734
 
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Names and Synonyms

Synonym

  • Racemomycin A sulfate hydrate (2:3:6)

Systematic Name

  • Racemomycin A, sulfate (salt), hydrate (2:3:6)

Registry Numbers

CAS Registry Number

  • 11098-67-2

System Generated Number

  • 0011098672

Molecular Formulas

Molecular Formula

  • C19-H34-N8-O8.3/2H2-O4-S.3H2-O

Molecular Formula Fragments

  • C19-H34-N8-O8
  • COMPONENT
  • H2-O
  • H2-O4-S

Structure Descriptors

InChI

1S/2C19H34N8O8.3H2O4S.6H2O/c2*20-3-1-2-7(21)4-10(30)24-13-14(31)15(35-18(22)33)9(6-28)34-17(13)27-19-25-11-8(29)5-23-16(32)12(11)26-19;3*1-5(2,3)4;;;;;;/h2*7-9,11-15,17,28-29,31H,1-6,20-21H2,(H2,22,33)(H,23,32)(H,24,30)(H2,25,26,27);3*(H2,1,2,3,4);6*1H2/t2*7-,8+,9+,11+,12-,13+,14-,15-,17+;;;;;;;;;/m00........./s1

InChIKey

SLHUWUZQZDGABF-VSCPOFCISA-N

Smiles

C1[C@H]([C@@H]2[C@@H](C(=O)N1)N=C(N2)N[C@H]3[C@@H]([C@@H]([C@H]([C@H](O3)CO)OC(=O)N)O)NC(=O)C[C@H](CCCN)N)O.C1[C@H]([C@@H]2[C@@H](C(=O)N1)N=C(N2)N[C@H]3[C@@H]([C@@H]([C@H]([C@H](O3)CO)OC(=O)N)O)NC(=O)C[C@H](CCCN)N)O.O.O.O.O.O.O.OS(=O)(=O)O.OS(=O)(=O)O.OS(=O)(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 300mg/kg (300mg/kg)   Chemical and Pharmaceutical Bulletin. Vol. 19, Pg. 1627, 1971.