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Substance Name: Rifamide sodium
RN: 53109-90-3
InChIKey: XCKCSZUXRGMXMS-BXRFXYAGSA-M

Molecular Formula

  • C43-H57-N2-O15.Na

Molecular Weight

  • 832.9143
 
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Names and Synonyms

Results Name

  • Rifamide sodium

Synonyms

  • N,N-Diethylrifomycin B amide, sodium salt
  • Rifamide sodium salt
  • Rifomycin B diethylamide sodium salt

Systematic Name

  • Acetamide, 2-((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)-N,N-diethyl-, 21-acetate, sodium salt

Registry Numbers

CAS Registry Number

  • 53109-90-3

Related Registry Number

  • 2750-76-7 (Parent)

System Generated Number

  • 0053109903

Molecular Formulas

Molecular Formula

  • C43-H57-N2-O15.Na

Molecular Formula Fragments

  • C43-H57-N2-O15
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C43H58N2O13.Na/c1-12-45(13-2)31(47)20-55-30-19-28-38(51)33-32(30)34-40(26(8)37(33)50)58-43(10,41(34)52)56-18-17-29(54-11)23(5)39(57-27(9)46)25(7)36(49)24(6)35(48)21(3)15-14-16-22(4)42(53)44-28;/h14-19,21,23-25,29,35-36,39,48-51H,12-13,20H2,1-11H3,(H,44,53);/q;+1/p-1/b15-14+,18-17+,22-16-;

InChIKey

XCKCSZUXRGMXMS-BXRFXYAGSA-M

Smiles

CCN(CC)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-].[Na+]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 332mg/kg (332mg/kg)   Research Progress in Organic-Biological and Medicinal Chemistry. Vol. 2, Pg. 322, 1970.
mouse LD50 intravenous 315mg/kg (315mg/kg)   Research Progress in Organic-Biological and Medicinal Chemistry. Vol. 2, Pg. 321, 1970.
mouse LD50 oral 2430mg/kg (2430mg/kg)   Research Progress in Organic-Biological and Medicinal Chemistry. Vol. 2, Pg. 322, 1970.
mouse LD50 subcutaneous 580mg/kg (580mg/kg)   Research Progress in Organic-Biological and Medicinal Chemistry. Vol. 2, Pg. 322, 1970.
rat LD50 intraperitoneal 580mg/kg (580mg/kg)   Research Progress in Organic-Biological and Medicinal Chemistry. Vol. 2, Pg. 322, 1970.
rat LD50 intravenous 352mg/kg (352mg/kg)   Research Progress in Organic-Biological and Medicinal Chemistry. Vol. 2, Pg. 322, 1970.
rat LD50 subcutaneous 2400mg/kg (2400mg/kg)   Research Progress in Organic-Biological and Medicinal Chemistry. Vol. 2, Pg. 323, 1970.