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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-2,4,12,16,18,20,22-heptamethyl-23-methoxy-1,11-dioxo-, 8-(diethylhydrazone), 21-acetate
RN: 13292-35-8
InChIKey: IQRZLGYKWLMBQE-PODXENQPSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C42-H57-N3-O12

Molecular Weight

  • 795.921
 
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Names and Synonyms

Synonym

  • BRN 0603662

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-2,4,12,16,18,20,22-heptamethyl-23-methoxy-1,11-dioxo-, 8-(diethylhydrazone), 21-acetate

Registry Numbers

CAS Registry Number

  • 13292-35-8

System Generated Number

  • 0013292358

Structure Descriptors

InChI

1S/C42H57N3O12/c1-12-45(13-2)43-19-27-32-37(51)30-29(36(27)50)31-39(25(8)35(30)49)57-42(10,40(31)52)55-18-17-28(54-11)22(5)38(56-26(9)46)24(7)34(48)23(6)33(47)20(3)15-14-16-21(4)41(53)44-32/h14-20,22-24,28,33-34,38,47-51H,12-13H2,1-11H3,(H,44,53)/b15-14+,18-17+,21-16-,43-19+/t20-,22+,23+,24+,28-,33-,34+,38+,42-/m0/s1

InChIKey

IQRZLGYKWLMBQE-PODXENQPSA-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)C=CC=C(C)C(N1)=O)OC(=O)C)\C=N\N(CC)CC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 2490mg/kg (2490mg/kg)   Chemotherapia. Vol. 12, Pg. 155, 1967.