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Substance Name: 9,4-(Epoxypentadeca(1,11,13)trienimino)-1H-benzofuro(5,4-g)indole-3-carboxylic acid, 9,10-dihydro-10,26-dioxo-5,6,16,18,20-pentahydroxy-7,9,15,17,19,21,25-heptamethyl-14-methoxy-, methyl ester, 16-acetate
RN: 102366-76-7
InChIKey: RPIPLZPWEZZMEF-FHXVWWBKSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C41-H49-N2-O13

Molecular Weight

  • 778.847
 
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Names and Synonyms

  • 9,4-(Epoxypentadeca(1,11,13)trienimino)-1H-benzofuro(5,4-g)indole-3-carboxylic acid, 9,10-dihydro-10,26-dioxo-5,6,16,18,20-pentahydroxy-7,9,15,17,19,21,25-heptamethyl-14-methoxy-, methyl ester, 16-acetate

Registry Numbers

CAS Registry Number

  • 102366-76-7

System Generated Number

  • 0102366767

Structure Descriptors

InChI

1S/C41H50N2O13/c1-17-12-11-13-18(2)39(50)43-31-26-24(40(51)53-10)16-42-30(26)27-28(35(31)48)34(47)22(6)37-29(27)38(49)41(8,56-37)54-15-14-25(52-9)19(3)36(55-23(7)44)21(5)33(46)20(4)32(17)45/h11-17,19-21,25,32-33,36,42,45-48H,1-10H3,(H,43,50)/b12-11+,15-14-,18-13+

InChIKey

RPIPLZPWEZZMEF-FHXVWWBKSA-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)c5c3[nH]cc5C(=O)OC)\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 oral 1800mg/kg (1800mg/kg)   "Structure-Activity Relationship among the Semisynthetic Antibiotics," Perlman, D., ed., New York, Academic Press, 1977Vol. -, Pg. 531, 1977.