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Substance Name: 3-Formylrifamycin SV O-(2-butenyl)oxime
RN: 41887-54-1
InChIKey: XYOBOMQKFBXUHF-XNMJMHDSSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C42-H54-N2-O13

Molecular Weight

  • 794.8896
 
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Names and Synonyms

Results Name

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

Synonyms

  • 3-Formylrifamycin SV O-(2-butenyl)oxime
  • BRN 5418388

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-butenyl)oxime

Registry Numbers

CAS Registry Number

  • 41887-54-1

System Generated Number

  • 0041887541

Structure Descriptors

InChI

1S/C42H54N2O13/c1-11-12-17-55-43-19-27-32-37(50)30-29(36(27)49)31-39(25(7)35(30)48)57-42(9,40(31)51)54-18-16-28(53-10)22(4)38(56-26(8)45)24(6)34(47)23(5)33(46)20(2)14-13-15-21(3)41(52)44-32/h11-16,18-20,22-24,28,33-34,38,46-50H,17H2,1-10H3,(H,44,52)/b12-11+,14-13+,18-16+,21-15-,43-19+/t20-,22+,23+,24+,28-,33-,34+,38?,42-/m0/s1

InChIKey

XYOBOMQKFBXUHF-XNMJMHDSSA-N

Smiles

C/C=C/CO/N=C/c1c2c(c3c(c1O)c4c(c(c3O)C)O[C@@](C4=O)(O/C=C/[C@@H]([C@H](C([C@@H]([C@@H]([C@@H]([C@H]([C@H](/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 160mg/kg (160mg/kg)   Journal of Medicinal Chemistry. Vol. 17, Pg. 396, 1974.