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Substance Name: 1-Butanone, 1-benzo(b)thien-3-yl-4-(diethylamino)-, 2-(4-chlorophenoxy)-2-methylpropanoate
RN: 61508-15-4
InChIKey: IKXOGQIASNDJMR-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C16-H21-N-O-S.C10-H11-Cl-O3

Molecular Weight

  • 490.0608
 
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Names and Synonyms

Synonym

  • 1-Benzo(b)thien-3-yl-4-(diethylamino)-1-butanone 2-(4-chlorophenoxy)-2-methylpropanoate

Systematic Name

  • 1-Butanone, 1-benzo(b)thien-3-yl-4-(diethylamino)-, 2-(4-chlorophenoxy)-2-methylpropanoate

Registry Numbers

CAS Registry Number

  • 61508-15-4

System Generated Number

  • 0061508154

Molecular Formulas

Molecular Formula

  • C16-H21-N-O-S.C10-H11-Cl-O3

Molecular Formula Fragments

  • C10-H11-Cl-O3
  • C16-H21-N-O-S
  • COMPONENT

Structure Descriptors

InChI

1S/C16H21NOS.C10H11ClO3/c1-3-17(4-2)11-7-9-15(18)14-12-19-16-10-6-5-8-13(14)16;1-10(2,9(12)13)14-8-5-3-7(11)4-6-8/h5-6,8,10,12H,3-4,7,9,11H2,1-2H3;3-6H,1-2H3,(H,12,13)

InChIKey

IKXOGQIASNDJMR-UHFFFAOYSA-N

Smiles

CCN(CC)CCCC(=O)c1csc2c1cccc2.CC(C)(C(=O)O)Oc1ccc(cc1)Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 1100mg/kg (1100mg/kg)   United States Patent Document. Vol. #4249014,