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Substance Name: Rifamycin B trimethylhydrazide
RN: 17607-46-4
InChIKey: OSYTYZBALMLBRG-BDEMEZHASA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C42-H57-N3-O13

Molecular Weight

  • 811.92
 
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Names and Synonyms

Results Name

  • Rifamycin B trimethylhydrazide

Synonyms

  • 4-O-(2-Oxo-2-(trimethylhydrazino)ethyl)rifamycin
  • BRN 5418455
  • NCI 144-132
  • NSC 144132
  • Rifamycin B trimethylhydrazide

Systematic Names

  • Acetic acid, ((1,2-dihydro-5,6,17,19,21-pentahydroxy-23-methoxy-2,4,12,16,18,20,22-heptamethyl-1,11-dioxo-2,7-(epoxypentadeca(1,11,13)trienimino)naphtho(2,1-b)furan-9-yl)oxy)-,trimethylhydrazide, 21-acetate
  • Rifamycin, 4-O-(2-oxo-2-(trimethylhydrazino)ethyl)- (9CI)

Registry Numbers

CAS Registry Number

  • 17607-46-4

System Generated Number

  • 0017607464

Structure Descriptors

InChI

1S/C42H57N3O13/c1-20-14-13-15-21(2)41(53)43-27-18-29(55-19-30(47)45(11)44(9)10)31-32(37(27)51)36(50)25(6)39-33(31)40(52)42(8,58-39)56-17-16-28(54-12)22(3)38(57-26(7)46)24(5)35(49)23(4)34(20)48/h13-18,20,22-24,28,34-35,38,48-51H,19H2,1-12H3,(H,43,53)/b14-13+,17-16+,21-15-/t20-,22+,23+,24+,28-,34-,35+,38+,42-/m0/s1

InChIKey

OSYTYZBALMLBRG-BDEMEZHASA-N

Smiles

c12c3O[C@@](C2=O)(OC=C[C@@H]([C@H]([C@H]([C@@H]([C@@H]([C@@H]([C@@H](O)[C@H](C=CC=C(C(Nc2cc(c1c(c(O)c3C)c2O)OCC(N(N(C)C)C)=O)=O)C)C)C)O)C)OC(=O)C)C)OC)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 640mg/kg (640mg/kg)   Chemotherapia. Vol. 12, Pg. 155, 1967.