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Substance Name: 2,7-(Epoxypentadeca(1,11,13)trienimino)naphtho(2,1-b)furan-8-carboxaldehyde, 1,2-dihydro-5,6,9,17,19,21-hexahydroxy-23-methoxy-2,4,12,16,18,20,22-heptamethyl-1,11-dioxo-, 8-methylhydrazone, 21-acetate
RN: 13292-31-4
InChIKey: MVPSNUWRKWHCMB-ZQCYWIIQSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C39-H51-N3-O12

Molecular Weight

  • 753.841
 
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Names and Synonyms

Synonyms

  • BRN 0603495
  • NSC 267232

Systematic Name

  • 2,7-(Epoxypentadeca(1,11,13)trienimino)naphtho(2,1-b)furan-8-carboxaldehyde, 1,2-dihydro-5,6,9,17,19,21-hexahydroxy-23-methoxy-2,4,12,16,18,20,22-heptamethyl-1,11-dioxo-, 8-methylhydrazone, 21-acetate

Registry Numbers

CAS Registry Number

  • 13292-31-4

System Generated Number

  • 0013292314

Structure Descriptors

InChI

1S/C39H51N3O12/c1-17-12-11-13-18(2)38(50)42-29-24(16-41-40-9)33(47)26-27(34(29)48)32(46)22(6)36-28(26)37(49)39(8,54-36)52-15-14-25(51-10)19(3)35(53-23(7)43)21(5)31(45)20(4)30(17)44/h11-17,19-21,25,30-31,35,40,44-48H,1-10H3,(H,42,50)/b12-11+,15-14+,18-13-,41-16+/t17-,19+,20+,21+,25-,30-,31+,35+,39-/m0/s1

InChIKey

MVPSNUWRKWHCMB-ZQCYWIIQSA-N

Smiles

c12c(c(O)c3c4c(c(c(O)c3c2O)C)O[C@](C)(C4=O)OC=C[C@H](OC)[C@@H](C)[C@H]([C@H](C)[C@H](O)[C@H](C)[C@@H](O)[C@H](C=CC=C(C)C(=O)N1)C)OC(=O)C)\C=N\NC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 910mg/kg (910mg/kg)   "Structure-Activity Relationship among the Semisynthetic Antibiotics," Perlman, D., ed., New York, Academic Press, 1977Vol. -, Pg. 531, 1977.