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Substance Name: Rifamycin B butyldiethylhydrazide
RN: 17607-50-0
InChIKey: KMDQBICJOJZSMS-FUTFIWETSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C47-H67-N3-O13

Molecular Weight

  • 882.054
 
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Names and Synonyms

Results Name

  • Rifamycin B butyldiethylhydrazide

Synonyms

  • BRN 5418777
  • Rifamycin B butyldiethylhydrazide

Systematic Name

  • 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-diethylhydrazide, 21-acetate

Registry Numbers

CAS Registry Number

  • 17607-50-0

System Generated Number

  • 0017607500

Structure Descriptors

InChI

1S/C47H67N3O13/c1-13-16-21-50(49(14-2)15-3)35(52)24-60-34-23-32-42(56)37-36(34)38-44(30(9)41(37)55)63-47(11,45(38)57)61-22-20-33(59-12)27(6)43(62-31(10)51)29(8)40(54)28(7)39(53)25(4)18-17-19-26(5)46(58)48-32/h17-20,22-23,25,27-29,33,39-40,43,53-56H,13-16,21,24H2,1-12H3,(H,48,58)/b18-17+,22-20+,26-19-

InChIKey

KMDQBICJOJZSMS-FUTFIWETSA-N

Smiles

c12cc(c3c4c(c(c(c3c2O)O)C)O[C@@](C4=O)(OC=C[C@@H](OC)[C@@H](C)[C@@H]([C@@H]([C@@H]([C@@H](C)[C@@H]([C@@H](C)C=CC=C(C)C(N1)=O)O)O)C)OC(C)=O)C)OCC(N(N(CC)CC)CCCC)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 129mg/kg (129mg/kg)   Chemotherapia. Vol. 12, Pg. 155, 1967.