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Substance Name: 1H-Indole-3-acetic acid, 1-(4-chlorobenzoyl)-5-methoxy-2-methyl-, 1,4-piperazinediyldi-2,1-ethanediyl ester, (Z)-2-butenedioate (1:2)
RN: 135804-48-7
InChIKey: OQUNEBYNWSJRPQ-LVEZLNDCSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C46-H46-Cl2-N4-O8.2C4-H4-O4

Molecular Weight

  • 1085.9386
 
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Names and Synonyms

  • 1H-Indole-3-acetic acid, 1-(4-chlorobenzoyl)-5-methoxy-2-methyl-, 1,4-piperazinediyldi-2,1-ethanediyl ester, (Z)-2-butenedioate (1:2)

Registry Numbers

CAS Registry Number

  • 135804-48-7

System Generated Number

  • 0135804487

Molecular Formulas

Molecular Formula

  • C46-H46-Cl2-N4-O8.2C4-H4-O4

Molecular Formula Fragments

  • C4-H4-O4
  • C46-H46-Cl2-N4-O8
  • COMPONENT

Structure Descriptors

InChI

1S/C46H46Cl2N4O8.2C4H4O4/c1-29-37(39-25-35(57-3)13-15-41(39)51(29)45(55)31-5-9-33(47)10-6-31)27-43(53)59-23-21-49-17-19-50(20-18-49)22-24-60-44(54)28-38-30(2)52(42-16-14-36(58-4)26-40(38)42)46(56)32-7-11-34(48)12-8-32;2*5-3(6)1-2-4(7)8/h5-16,25-26H,17-24,27-28H2,1-4H3;2*1-2H,(H,5,6)(H,7,8)/b;2*2-1+

InChIKey

OQUNEBYNWSJRPQ-LVEZLNDCSA-N

Smiles

Cc1n(c2c(c1CC(=O)OCCN3CCN(CC3)CCOC(=O)Cc4c5c(n(c4C)C(=O)c6ccc(cc6)Cl)ccc(c5)OC)cc(cc2)OC)C(=O)c7ccc(cc7)Cl.C(=C/C(=O)O)\C(=O)O.C(=C/C(=O)O)\C(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LDLo oral 44400ug/kg (44.4mg/kg)   Cesko-Slovenska Farmacie. Vol. 40, Pg. 71, 1991.