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Substance 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)-, 21-acetate, 1,2,2-tripropylhydrazide
RN: 38123-25-0
InChIKey: PPGOZIJHGOGHLF-OIZHISHESA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C48-H69-N3-O13

Molecular Weight

  • 896.0811
 
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Names and Synonyms

Synonyms

  • BRN 5418830
  • NSC 144139
  • Rifamycin B tripropylhydrazide

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)-, 21-acetate, 1,2,2-tripropylhydrazide
  • Rifamycin, 4-O-(2-oxo-2-(tripropylhydrazino)ethyl)- (9CI)

Registry Numbers

CAS Registry Number

  • 38123-25-0

System Generated Number

  • 0038123250

Structure Descriptors

InChI

1S/C48H69N3O13/c1-13-20-50(21-14-2)51(22-15-3)36(53)25-61-35-24-33-43(57)38-37(35)39-45(31(9)42(38)56)64-48(11,46(39)58)62-23-19-34(60-12)28(6)44(63-32(10)52)30(8)41(55)29(7)40(54)26(4)17-16-18-27(5)47(59)49-33/h16-19,23-24,26,28-30,34,40-41,44,54-57H,13-15,20-22,25H2,1-12H3,(H,49,59)/b17-16+,23-19+,27-18-

InChIKey

PPGOZIJHGOGHLF-OIZHISHESA-N

Smiles

CCCN(CCC)N(CCC)C(=O)COc1cc2c(c3c1c4c(c(c3O)C)OC(C4=O)(O/C=C/C(C(C(C(C(C(C(C(/C=C/C=C(\C(=O)N2)/C)C)O)C)O)C)OC(=O)C)C)OC)C)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 240mg/kg (240mg/kg)   Journal of Medicinal Chemistry. Vol. 7, Pg. 596, 1964.