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Substance Name: 16-Deethylindanomycin
RN: 117615-33-5
InChIKey: HSZFOQSMGNAIJM-IWHHVUORSA-N

Note

  • Isolated from Streptomyces setonii.

Classification Codes

  • Drug / Therapeutic Agent
  • Natural Product

Molecular Formula

  • C29-H39-N-O4

Molecular Weight

  • 465.63
 
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Names and Synonyms

Name of Substance

  • 16-Deethylindanomycin

Synonyms

  • 16-Deethylindanomycin
  • A83094A

Systematic Name

  • 2H-Pyran-2-acetic acid, tetrahydro-alpha,5-dimethyl-6-(1-ethyl-4-(2,3,3a,4,5,7a-hexahydro-4-(1H-pyrrol-2-ylcarbonyl)-1H-inden-5-yl)-1,3-butadienyl)-, (3aR-(3a-alpha,4-alpha,5-alpha(1E(2R*(R*),5S*,6R*),3E),7a-beta))-

Registry Numbers

CAS Registry Number

  • 117615-33-5

System Generated Number

  • 0117615335

Structure Descriptors

InChI

1S/C29H39NO4/c1-4-20(28-18(2)13-16-25(34-28)19(3)29(32)33)8-5-10-22-15-14-21-9-6-11-23(21)26(22)27(31)24-12-7-17-30-24/h5,7-8,10,12,14-15,17-19,21-23,25-26,28,30H,4,6,9,11,13,16H2,1-3H3,(H,32,33)/b10-5+,20-8+/t18-,19+,21-,22-,23+,25+,26+,28+/m0/s1

InChIKey

HSZFOQSMGNAIJM-IWHHVUORSA-N

Smiles

C1[C@H]([C@H](C(=O)O)C)O[C@H]([C@H](C1)C)C(=C/C=C/[C@@H]1[C@H]([C@@H]2CCC[C@H]2C=C1)C(=O)c1[nH]ccc1)\CC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 196400ug/kg (196.4mg/kg)   Journal of Antibiotics. Vol. 41, Pg. 1170, 1988.
mouse LD50 oral 630mg/kg (630mg/kg)   Journal of Antibiotics. Vol. 41, Pg. 1170, 1988.