Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: 1-Propanone, 2-(tert-butylamino)-1-(3-indolyl)-, monohydrochloride, monohydrate
RN: 78907-15-0
InChIKey: TZPCCCCYPIGCBQ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C15-H20-N2-O.Cl-H.H2-O

Molecular Weight

  • 298.812
 
* denotes mobile formatted website

Links to Resources

NLM Resources (File Locators)

Other Resources (Internet Locators)


Search for this InChIKey on the Web

Names and Synonyms

Synonyms

  • 2-(tert-Butylamino)-1-(3-indolyl)-1-propanone hydrochloride hydrate
  • 3-(tert-Butylamino)propionylindole hydrochloride hydrate

Systematic Name

  • 1-Propanone, 2-(tert-butylamino)-1-(3-indolyl)-, monohydrochloride, monohydrate

Registry Numbers

CAS Registry Number

  • 78907-15-0

System Generated Number

  • 0078907150

Molecular Formulas

Molecular Formula

  • C15-H20-N2-O.Cl-H.H2-O

Molecular Formula Fragments

  • C15-H20-N2-O
  • Cl-H
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C15H20N2O.ClH.H2O/c1-10(17-15(2,3)4)14(18)12-9-16-13-8-6-5-7-11(12)13;;/h5-10,16-17H,1-4H3;1H;1H2

InChIKey

TZPCCCCYPIGCBQ-UHFFFAOYSA-N

Smiles

C(=O)(c1c[nH]c2ccccc12)[C@@H](NC(C)(C)C)C.Cl.O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 95mg/kg (95mg/kg) BEHAVIORAL: WAKEFULNESS Pharmaceutical Chemistry Journal Vol. 15, Pg. 412, 1981.
mouse LD50 oral 515ug/kg (0.515mg/kg)   Pharmaceutical Chemistry Journal Vol. 15, Pg. 412, 1981.
mouse LD50 oral 515ug/kg (0.515mg/kg) BEHAVIORAL: WAKEFULNESS Pharmaceutical Chemistry Journal Vol. 15, Pg. 412, 1981.
mouse LD50 subcutaneous 315ug/kg (0.315mg/kg)   Pharmaceutical Chemistry Journal Vol. 15, Pg. 412, 1981.
mouse LD50 subcutaneous 315ug/kg (0.315mg/kg) BEHAVIORAL: WAKEFULNESS Pharmaceutical Chemistry Journal Vol. 15, Pg. 412, 1981.