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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-phenoxybutyl)oxime
RN: 41970-81-4
InChIKey: XYBDTTAVFVQQHY-ULRKPVJLSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C48-H60-N2-O14

Molecular Weight

  • 889.002
 
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Names and Synonyms

Synonyms

  • 3-Formylrifamycin SV O-(4-phenoxybutyl)oxime
  • BRN 5418900

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-phenoxybutyl)oxime

Registry Numbers

CAS Registry Number

  • 41970-81-4

System Generated Number

  • 0041970814

Structure Descriptors

InChI

1S/C48H60N2O14/c1-25-16-15-17-26(2)47(58)50-38-33(24-49-62-22-14-13-21-60-32-18-11-10-12-19-32)42(55)35-36(43(38)56)41(54)30(6)45-37(35)46(57)48(8,64-45)61-23-20-34(59-9)27(3)44(63-31(7)51)29(5)40(53)28(4)39(25)52/h10-12,15-20,23-25,27-29,34,39-40,44,52-56H,13-14,21-22H2,1-9H3,(H,50,58)/b16-15+,23-20+,26-17-,49-24+

InChIKey

XYBDTTAVFVQQHY-ULRKPVJLSA-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/OCCCCOc5ccccc5)/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 139mg/kg (139mg/kg)   Journal of Medicinal Chemistry. Vol. 17, Pg. 396, 1974.