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Substance Name: Rifamycin B butyldimethylhydrazide
RN: 17607-47-5
InChIKey: IQJDNOVBWJTUJH-FXKMAROGSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C45-H63-N3-O13

Molecular Weight

  • 854.001
 
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Names and Synonyms

Results Name

  • Rifamycin B butyldimethylhydrazide

Synonyms

  • BRN 5418669
  • NCI 145-606
  • NSC 145606
  • Rifamycin B butyldimethylhydrazide

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)-,1-butyl-2,2-dimethylhydrazide, 21-acetate
  • Rifamycin, 4-O-(2-(1-butyl-2,2-dimethylhydrazino)-2-oxoethyl)- (9CI)

Registry Numbers

CAS Registry Number

  • 17607-47-5

System Generated Number

  • 0017607475

Structure Descriptors

InChI

1S/C45H63N3O13/c1-13-14-19-48(47(10)11)33(50)22-58-32-21-30-40(54)35-34(32)36-42(28(7)39(35)53)61-45(9,43(36)55)59-20-18-31(57-12)25(4)41(60-29(8)49)27(6)38(52)26(5)37(51)23(2)16-15-17-24(3)44(56)46-30/h15-18,20-21,23,25-27,31,37-38,41,51-54H,13-14,19,22H2,1-12H3,(H,46,56)/b16-15+,20-18+,24-17-/t23-,25+,26+,27+,31-,37-,38+,41+,45-/m0/s1

InChIKey

IQJDNOVBWJTUJH-FXKMAROGSA-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)CCCC)=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 212mg/kg (212mg/kg)   Chemotherapia. Vol. 12, Pg. 155, 1967.