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Substance Name: Rifamycin, 3-(((2-(1-piperidinyl)ethoxy)imino)methyl)-
RN: 22912-87-4
InChIKey: RTUMPOVQPVRSSH-QCHHXEHXSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C45-H61-N3-O13

Molecular Weight

  • 851.985
 
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Names and Synonyms

Results Name

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

Synonyms

  • 3-Formylrifamycin SV O-(2-piperidinoethyl)oxime
  • BRN 5418752
  • NCI 143-379
  • NCI 143-479
  • NSC 143479

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-piperidinoethyl)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-(O-(2-piperidinoethyl)oxime), 21-acetate (8CI)
  • 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-piperidinyl)ethoxy)imino)methyl)- (9CI)

Registry Numbers

CAS Registry Number

  • 22912-87-4

System Generated Number

  • 0022912874

Structure Descriptors

InChI

1S/C45H61N3O13/c1-23-14-13-15-24(2)44(56)47-35-30(22-46-59-21-19-48-17-11-10-12-18-48)39(53)32-33(40(35)54)38(52)28(6)42-34(32)43(55)45(8,61-42)58-20-16-31(57-9)25(3)41(60-29(7)49)27(5)37(51)26(4)36(23)50/h13-16,20,22-23,25-27,31,36-37,41,50-54H,10-12,17-19,21H2,1-9H3,(H,47,56)/b14-13+,20-16+,24-15-,46-22+

InChIKey

RTUMPOVQPVRSSH-QCHHXEHXSA-N

Smiles

c12c(c(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]([C@@H](C)[C@@H]([C@@H](C)C=CC=C(C)C(N1)=O)O)O)OC(C)=O)O)\C=N\OCCN1CCCCC1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 180mg/kg (180mg/kg)   Journal of Medicinal Chemistry. Vol. 17, Pg. 396, 1974.