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Substance Name: Rifamycin, 3-((hydroxyimino)methyl)-
RN: 14840-02-9
InChIKey: MTDHGAMVNZGOBI-RMCQSRABSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C38-H48-N2-O13

Molecular Weight

  • 740.798
 
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Names and Synonyms

Results Name

  • Rifamycin, 3-((hydroxyimino)methyl)-

Synonyms

  • 3-Formylrifamycin SV oxime
  • BRN 5417917
  • NSC 143444

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, oxime
  • 2,7-(Epoxypentadeca(1,11,13)trienimino)naphtho(2,1-b)furan-8-carboxaldehyde, 1,2-dihydro-5,6,9,17,19,21-hexahydroxy-23-methoxy-2,4,12,16,18,20,22-heptamethyl-1,11-dioxo-, 8-oxime, 21-acetate (8CI)
  • Rifamycin, 3-((hydroxyimino)methyl)- (9CI)

Registry Numbers

CAS Registry Number

  • 14840-02-9

System Generated Number

  • 0014840029

Structure Descriptors

InChI

1S/C38H48N2O13/c1-16-11-10-12-17(2)37(48)40-28-23(15-39-49)32(45)25-26(33(28)46)31(44)21(6)35-27(25)36(47)38(8,53-35)51-14-13-24(50-9)18(3)34(52-22(7)41)20(5)30(43)19(4)29(16)42/h10-16,18-20,24,29-30,34,42-46,49H,1-9H3,(H,40,48)/b11-10+,14-13+,17-12-,39-15+/t16-,18+,19+,20+,24-,29-,30+,34+,38-/m0/s1

InChIKey

MTDHGAMVNZGOBI-RMCQSRABSA-N

Smiles

O\N=C\c1c2NC(=O)C(=CC=C[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H]([C@H](C)[C@@H](OC)C=CO[C@@]3(C)Oc4c(c(c1O)c(c2O)c(O)c4C)C3=O)OC(=O)C)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 690mg/kg (690mg/kg)   Journal of Medicinal Chemistry. Vol. 17, Pg. 396, 1974.