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Substance Name: NSC 249286
RN: 75776-08-8
InChIKey: JAWNITNZPHEEQL-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C23-H27-Cl-N2-O5-S

Molecular Weight

  • 478.9943
 
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Names and Synonyms

Results Name

  • NSC 249286

Synonyms

  • BRN 5659217
  • NSC 249286

Systematic Name

  • Urea, 1-(2-chloroethyl)-3-(10-methylthio-9-oxo-1,2,3-trimethoxy-5,6,7,9-tetrahydrobenzo(a)heptalen-7-yl)-

Registry Numbers

CAS Registry Number

  • 75776-08-8

System Generated Number

  • 0075776088

Structure Descriptors

InChI

1S/C23H27ClN2O5S/c1-29-18-11-13-5-7-16(26-23(28)25-10-9-24)15-12-17(27)19(32-4)8-6-14(15)20(13)22(31-3)21(18)30-2/h6,8,11-12,16H,5,7,9-10H2,1-4H3,(H2,25,26,28)

InChIKey

JAWNITNZPHEEQL-UHFFFAOYSA-N

Smiles

COc1cc2CCC(NC(=O)NCCCl)C3=CC(=O)C(=CC=C3c2c(OC)c1OC)SC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 5628ug/kg (5.628mg/kg)   Journal of Medicinal Chemistry. Vol. 24, Pg. 636, 1981.