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Substance Name: Rifamycin B butylmethylamide
RN: 16784-08-0
InChIKey: LSGIOAFJQJEMMO-NGNCQUAGSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C44-H60-N2-O13

Molecular Weight

  • 824.959
 
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Names and Synonyms

Results Name

  • Rifamycin B butylmethylamide

Synonyms

  • BRN 5418460
  • N-Butyl-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-methylacetamide 21-acetate
  • NCI 143-432
  • NSC 143432
  • Rifamycin B butylmethylamide

Systematic Names

  • 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-butyl-N-methyl-, 21-acetate
  • Acetamide, N-butyl-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-methyl-, 21-acetate
  • Rifamycin, 4-O-(2-(butylmethylamino)-2-oxoethyl)- (9CI)

Registry Numbers

CAS Registry Number

  • 16784-08-0

System Generated Number

  • 0016784080

Structure Descriptors

InChI

1S/C44H60N2O13/c1-12-13-18-46(10)32(48)21-56-31-20-29-39(52)34-33(31)35-41(27(7)38(34)51)59-44(9,42(35)53)57-19-17-30(55-11)24(4)40(58-28(8)47)26(6)37(50)25(5)36(49)22(2)15-14-16-23(3)43(54)45-29/h14-17,19-20,22,24-26,30,36-37,40,49-52H,12-13,18,21H2,1-11H3,(H,45,54)/b15-14+,19-17+,23-16-

InChIKey

LSGIOAFJQJEMMO-NGNCQUAGSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 265mg/kg (265mg/kg)   Journal of Medicinal Chemistry. Vol. 7, Pg. 596, 1964.