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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-(6-phenoxyhexyl)oxime
RN: 41970-88-1
InChIKey: PDZVXTXKZAMECM-UBPRPALTSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C50-H64-N2-O14

Molecular Weight

  • 917.0556
 
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Names and Synonyms

Synonyms

  • 3-Formylrifamycin SV O-(6-phenoxyhexyl)oxime
  • BRN 5418982

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-(6-phenoxyhexyl)oxime

Registry Numbers

CAS Registry Number

  • 41970-88-1

System Generated Number

  • 0041970881

Structure Descriptors

InChI

1S/C50H64N2O14/c1-27-18-17-19-28(2)49(60)52-40-35(26-51-64-24-16-11-10-15-23-62-34-20-13-12-14-21-34)44(57)37-38(45(40)58)43(56)32(6)47-39(37)48(59)50(8,66-47)63-25-22-36(61-9)29(3)46(65-33(7)53)31(5)42(55)30(4)41(27)54/h12-14,17-22,25-27,29-31,36,41-42,46,54-58H,10-11,15-16,23-24H2,1-9H3,(H,52,60)/b18-17+,25-22+,28-19-,51-26+

InChIKey

PDZVXTXKZAMECM-UBPRPALTSA-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/OCCCCCCOc5ccccc5)/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 97mg/kg (97mg/kg)   Journal of Medicinal Chemistry. Vol. 17, Pg. 396, 1974.