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Substance Name: 1H-Indole-3-carboxylic acid, 5-(2-(2-(diethylamino)ethoxy)-2-oxoethoxy)-2-methyl-1-phenyl-, 2-(diethylamino)ethyl ester, dicitrate
RN: 68360-94-1
InChIKey: LTENYGAMDJZBKJ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C30-H41-N3-O5.2C6-H8-O7

Molecular Weight

  • 907.914
 
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Names and Synonyms

Synonym

  • 1-Phenyl-2-methyl-3-carboxyindolyl-5-hydroxyacetic acid bis-diethylaminoethyl ester dicitrate

Systematic Name

  • 1H-Indole-3-carboxylic acid, 5-(2-(2-(diethylamino)ethoxy)-2-oxoethoxy)-2-methyl-1-phenyl-, 2-(diethylamino)ethyl ester, dicitrate

Registry Numbers

CAS Registry Number

  • 68360-94-1

System Generated Number

  • 0068360941

Molecular Formulas

Molecular Formula

  • C30-H41-N3-O5.2C6-H8-O7

Molecular Formula Fragments

  • C30-H41-N3-O5
  • C6-H8-O7
  • COMPONENT

Structure Descriptors

InChI

1S/C30H41N3O5.2C6H8O7/c1-6-31(7-2)17-19-36-28(34)22-38-25-15-16-27-26(21-25)29(30(35)37-20-18-32(8-3)9-4)23(5)33(27)24-13-11-10-12-14-24;2*7-3(8)1-6(13,5(11)12)2-4(9)10/h10-16,21H,6-9,17-20,22H2,1-5H3;2*13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)

InChIKey

LTENYGAMDJZBKJ-UHFFFAOYSA-N

Smiles

c12c(n(c3ccccc3)c(C)c1C(OCC[NH+](CC)CC)=O)ccc(c2)OCC(OCC[NH+](CC)CC)=O.C([C@@](CC(=O)[O-])(C(O)=O)O)C(O)=O.C([C@@](CC(=O)[O-])(C(O)=O)O)C(O)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 51mg/kg (51mg/kg)   Pharmaceutical Chemistry Journal Vol. 12, Pg. 1156, 1978.