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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)amino)propyl ester, (+-)-
RN: 73521-00-3
InChIKey: CBHVJCYCLIGOFM-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C40-H47-Cl-N4-O7

Molecular Weight

  • 731.285
 
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Names and Synonyms

Synonym

  • BRN 0471017

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 73521-00-3

System Generated Number

  • 0073521003

Structure Descriptors

InChI

1S/C40H47ClN4O7/c1-5-22-44(23-6-2)40(50)34(43-38(48)28-11-8-7-9-12-28)18-20-36(46)42-21-10-24-52-37(47)26-32-27(3)45(35-19-17-31(51-4)25-33(32)35)39(49)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,42,46)(H,43,48)

InChIKey

CBHVJCYCLIGOFM-UHFFFAOYSA-N

Smiles

c12c(c(CC(OCCCNC(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 370mg/kg (370mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 14, Pg. 447, 1979.