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Substance Name: 1H-Indole-3-acetic acid, 1-(4-chlorobenzoyl)-5-methoxy-2-methyl-, 3-((4-(benzoylamino)-5-(dipropylamino)-1,5-dioxopentyl)oxy)propyl ester, (+-)-
RN: 73512-92-2
InChIKey: DCSAKGPASAPAIA-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C40-H46-Cl-N3-O8

Molecular Weight

  • 732.269
 
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Names and Synonyms

Synonym

  • BRN 0470288

Systematic Name

  • 1H-Indole-3-acetic acid, 1-(4-chlorobenzoyl)-5-methoxy-2-methyl-, 3-((4-(benzoylamino)-5-(dipropylamino)-1,5-dioxopentyl)oxy)propyl ester, (+-)-

Registry Numbers

CAS Registry Number

  • 73512-92-2

System Generated Number

  • 0073512922

Structure Descriptors

InChI

1S/C40H46ClN3O8/c1-5-21-43(22-6-2)40(49)34(42-38(47)28-11-8-7-9-12-28)18-20-36(45)51-23-10-24-52-37(46)26-32-27(3)44(35-19-17-31(50-4)25-33(32)35)39(48)29-13-15-30(41)16-14-29/h7-9,11-17,19,25,34H,5-6,10,18,20-24,26H2,1-4H3,(H,42,47)

InChIKey

DCSAKGPASAPAIA-UHFFFAOYSA-N

Smiles

c12c(c(CC(OCCCOC(CC[C@@H](C(N(CCC)CCC)=O)NC(c3ccccc3)=O)=O)=O)c(n1C(c1ccc(Cl)cc1)=O)C)cc(OC)cc2

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 oral 605mg/kg (605mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 14, Pg. 447, 1979.