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Substance Name: 1H-Indole-3-acetamide, N,N-dimethyl-4-(2-hydroxy-3-((1-methylethyl)amino)propoxy)-, (E)-2-butenedioate (1:1) (salt)
RN: 145296-55-5
InChIKey: LSDYVKZBWJUQNP-WLHGVMLRSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C18-H27-N3-O3.C4-H4-O4

Molecular Weight

  • 449.5009
 
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Names and Synonyms

  • 1H-Indole-3-acetamide, N,N-dimethyl-4-(2-hydroxy-3-((1-methylethyl)amino)propoxy)-, (E)-2-butenedioate (1:1) (salt)

Registry Numbers

CAS Registry Number

  • 145296-55-5

System Generated Number

  • 0145296555

Molecular Formulas

Molecular Formula

  • C18-H27-N3-O3.C4-H4-O4

Molecular Formula Fragments

  • C18-H27-N3-O3
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C18H27N3O3.C4H4O4/c1-12(2)19-10-14(22)11-24-16-7-5-6-15-18(16)13(9-20-15)8-17(23)21(3)4;5-3(6)1-2-4(7)8/h5-7,9,12,14,19-20,22H,8,10-11H2,1-4H3;1-2H,(H,5,6)(H,7,8)/b;2-1+

InChIKey

LSDYVKZBWJUQNP-WLHGVMLRSA-N

Smiles

CC(C)NCC(COc1cccc2c1c(c[nH]2)CC(=O)N(C)C)O.C(=C/C(=O)O)\C(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 20mg/kg (20mg/kg)   Pharmaceutical Chemistry Journal Vol. 26, Pg. 484, 1992.