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Substance 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-(4-bromobenzyl)oxime
RN: 38601-55-7
InChIKey: CWBJTXKBTZKYDQ-IIYIQEQASA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C45-H53-Br-N2-O13

Molecular Weight

  • 909.8187
 
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Names and Synonyms

Synonyms

  • 3-Formylrifamycin SV O-(4-bromobenzyl)oxime
  • BRN 5418889

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-(4-bromobenzyl)oxime

Registry Numbers

CAS Registry Number

  • 38601-55-7

System Generated Number

  • 0038601557

Structure Descriptors

InChI

1S/C45H53BrN2O13/c1-21-11-10-12-22(2)44(56)48-35-30(19-47-59-20-28-13-15-29(46)16-14-28)39(53)32-33(40(35)54)38(52)26(6)42-34(32)43(55)45(8,61-42)58-18-17-31(57-9)23(3)41(60-27(7)49)25(5)37(51)24(4)36(21)50/h10-19,21,23-25,31,36-37,41,50-54H,20H2,1-9H3,(H,48,56)/b11-10+,18-17+,22-12-,47-19+

InChIKey

CWBJTXKBTZKYDQ-IIYIQEQASA-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/OCc5ccc(cc5)Br)/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 90mg/kg (90mg/kg)   Journal of Medicinal Chemistry. Vol. 17, Pg. 396, 1974.