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Substance Name: Rifamycin, 3-(((2-(1-pyrrolidinyl)ethoxy)imino)methyl)-
RN: 22912-88-5
InChIKey: MTGMQUAPXFFFJH-YQDSYCHOSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C44-H59-N3-O13

Molecular Weight

  • 837.958
 
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Names and Synonyms

Results Name

  • Rifamycin, 3-(((2-(1-pyrrolidinyl)ethoxy)imino)methyl)-

Synonyms

  • 3-Formylrifamycin SV O-(2-pyrrolidinylethyl)oxime
  • BRN 5418695
  • NCI 145-630

Systematic Names

  • 2,7-(Epoxypentadeca(1,11,13)trienimino)naphtho(2,1-b)furan-1,11(2H)-dione, 3-formyl-5,6,9,17,19,21-hexahydroxy-23-methoxy-2,4,12,16,18,20,22-heptamethyl-, 21-acetate, O-(2-pyrrolidinylethyl)oxime
  • 2,7-(Epoxypentadeca(1,11,13)trienimino)naphtho(2,1-b)furan-8-carboxaldehyde, 1,2-dihydro-5,6,9,171-hexahydroxy-23-methoxy-2,4,12,16,18,20,22-heptamethyl-1,11-dioxo-, 8-(O-(2-(1-pyrrolidinyl)ethyl)oxime), 21-acetate
  • Rifamycin, 3-(((2-(1-pyrrolidinyl)ethoxy)imino)methyl)- (9CI)

Registry Numbers

CAS Registry Number

  • 22912-88-5

System Generated Number

  • 0022912885

Structure Descriptors

InChI

1S/C44H59N3O13/c1-22-13-12-14-23(2)43(55)46-34-29(21-45-58-20-18-47-16-10-11-17-47)38(52)31-32(39(34)53)37(51)27(6)41-33(31)42(54)44(8,60-41)57-19-15-30(56-9)24(3)40(59-28(7)48)26(5)36(50)25(4)35(22)49/h12-15,19,21-22,24-26,30,35-36,40,49-53H,10-11,16-18,20H2,1-9H3,(H,46,55)/b13-12+,19-15+,23-14-,45-21+

InChIKey

MTGMQUAPXFFFJH-YQDSYCHOSA-N

Smiles

c12c(c(O)c3c4c(c(c(O)c3c2O)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)\C=N\OCCN1CCCC1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 250mg/kg (250mg/kg)   Journal of Medicinal Chemistry. Vol. 17, Pg. 396, 1974.