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Substance Name: 1H-Indole-3-acetic acid, 1-(4-chlorobenzoyl)-5-methoxy-2-methyl-, 2-(4-methyl-1-piperazinyl)ethyl ester, (Z)-2-butenedioate (1:2)
RN: 135804-46-5
InChIKey: VBGUPLXAZJERRC-LVEZLNDCSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C26-H30-Cl-N3-O4.2C4-H4-O4

Molecular Weight

  • 716.1362
 
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Names and Synonyms

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

Registry Numbers

CAS Registry Number

  • 135804-46-5

System Generated Number

  • 0135804465

Molecular Formulas

Molecular Formula

  • C26-H30-Cl-N3-O4.2C4-H4-O4

Molecular Formula Fragments

  • C26-H30-Cl-N3-O4
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C26H30ClN3O4.2C4H4O4/c1-18-22(17-25(31)34-15-14-29-12-10-28(2)11-13-29)23-16-21(33-3)8-9-24(23)30(18)26(32)19-4-6-20(27)7-5-19;2*5-3(6)1-2-4(7)8/h4-9,16H,10-15,17H2,1-3H3;2*1-2H,(H,5,6)(H,7,8)/b;2*2-1+

InChIKey

VBGUPLXAZJERRC-LVEZLNDCSA-N

Smiles

Cc1n(c2c(c1CC(=O)OCCN3CCN(CC3)C)cc(cc2)OC)C(=O)c4ccc(cc4)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 60mg/kg (60mg/kg)   Cesko-Slovenska Farmacie. Vol. 40, Pg. 71, 1991.