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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-(dimethylacetal), 21-acetate
RN: 13440-40-9
InChIKey: BOWLQQJFDGRYHV-XTEVKNFCSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C40-H53-N-O14

Molecular Weight

  • 771.852
 
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Names and Synonyms

Synonyms

  • BRN 5401840
  • NCI 144-147

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-(dimethylacetal), 21-acetate

Registry Numbers

CAS Registry Number

  • 13440-40-9

System Generated Number

  • 0013440409

Structure Descriptors

InChI

1S/C40H53NO14/c1-17-13-12-14-18(2)38(49)41-29-28(39(51-10)52-11)33(46)25-26(34(29)47)32(45)22(6)36-27(25)37(48)40(8,55-36)53-16-15-24(50-9)19(3)35(54-23(7)42)21(5)31(44)20(4)30(17)43/h12-17,19-21,24,30-31,35,39,43-47H,1-11H3,(H,41,49)/b13-12+,16-15+,18-14-/t17-,19+,20+,21+,24-,30-,31+,35+,40-/m0/s1

InChIKey

BOWLQQJFDGRYHV-XTEVKNFCSA-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(OC)OC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 155mg/kg (155mg/kg)   Chemotherapia. Vol. 12, Pg. 155, 1967.