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Substance Name: 3-Formylrifamycin SV O-(2-propynyl)oxime
RN: 41776-64-1
InChIKey: LKFNRYSRXFJAGZ-MRXRLFONSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C41-H50-N2-O13

Molecular Weight

  • 778.847
 
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Names and Synonyms

Results Name

  • 3-Formylrifamycin SV O-(2-propynyl)oxime

Synonyms

  • 3-Formylrifamycin SV O-(2-propynyl)oxime
  • BRN 5418320

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-(2-propynyl)oxime

Registry Numbers

CAS Registry Number

  • 41776-64-1

System Generated Number

  • 0041776641

Structure Descriptors

InChI

1S/C41H50N2O13/c1-11-16-54-42-18-26-31-36(49)29-28(35(26)48)30-38(24(7)34(29)47)56-41(9,39(30)50)53-17-15-27(52-10)21(4)37(55-25(8)44)23(6)33(46)22(5)32(45)19(2)13-12-14-20(3)40(51)43-31/h1,12-15,17-19,21-23,27,32-33,37,45-49H,16H2,2-10H3,(H,43,51)/b13-12+,17-15+,20-14-,42-18+

InChIKey

LKFNRYSRXFJAGZ-MRXRLFONSA-N

Smiles

Cc1c(c2c3c4c1OC(C4=O)(O/C=C/C(C(C(C(C(C(C(C(/C=C/C=C(\C(=O)Nc(c2O)c(c3O)/C=N/OCC#C)/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 200mg/kg (200mg/kg)   Journal of Medicinal Chemistry. Vol. 17, Pg. 396, 1974.