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Substance Name: 3-Formylrifamycin SV O-heptyloxime
RN: 41776-57-2
InChIKey: PYXLQYLMYICHHJ-UIHJLYSOSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C45-H62-N2-O13

Molecular Weight

  • 838.9858
 
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Names and Synonyms

Results Name

  • 3-Formylrifamycin SV O-heptyloxime

Synonyms

  • 3-Formylrifamycin SV O-heptyloxime
  • BRN 5418485

Systematic Name

  • 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-heptyloxime

Registry Numbers

CAS Registry Number

  • 41776-57-2

System Generated Number

  • 0041776572

Structure Descriptors

InChI

1S/C45H62N2O13/c1-11-12-13-14-15-20-58-46-22-30-35-40(53)33-32(39(30)52)34-42(28(7)38(33)51)60-45(9,43(34)54)57-21-19-31(56-10)25(4)41(59-29(8)48)27(6)37(50)26(5)36(49)23(2)17-16-18-24(3)44(55)47-35/h16-19,21-23,25-27,31,36-37,41,49-53H,11-15,20H2,1-10H3,(H,47,55)/b17-16+,21-19+,24-18-,46-22+

InChIKey

PYXLQYLMYICHHJ-UIHJLYSOSA-N

Smiles

CCCCCCCO/N=C/c1c2c(c3c(c1O)c4c(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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 86mg/kg (86mg/kg)   Journal of Medicinal Chemistry. Vol. 17, Pg. 396, 1974.