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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-(hept-3-yl)oxime
RN: 41887-57-4
InChIKey: OWWQBTJXNPPJKB-FOCZHOQXSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C45-H62-N2-O13

Molecular Weight

  • 838.9858
 
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Names and Synonyms

Synonyms

  • 3-Formylrifamycin SV O-(hept-3-yl)oxime
  • BRN 5418481

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-(hept-3-yl)oxime

Registry Numbers

CAS Registry Number

  • 41887-57-4

System Generated Number

  • 0041887574

Structure Descriptors

InChI

1S/C45H62N2O13/c1-12-14-18-29(13-2)60-46-21-30-35-40(53)33-32(39(30)52)34-42(27(8)38(33)51)59-45(10,43(34)54)57-20-19-31(56-11)24(5)41(58-28(9)48)26(7)37(50)25(6)36(49)22(3)16-15-17-23(4)44(55)47-35/h15-17,19-22,24-26,29,31,36-37,41,49-53H,12-14,18H2,1-11H3,(H,47,55)/b16-15+,20-19+,23-17-,46-21+

InChIKey

OWWQBTJXNPPJKB-FOCZHOQXSA-N

Smiles

CCCCC(CC)O/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 73mg/kg (73mg/kg)   Journal of Medicinal Chemistry. Vol. 17, Pg. 396, 1974.