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Substance Name: Indole, 3-((tert-butylamino)acetyl)-, hydrochloride, hydrate
RN: 78907-16-1
InChIKey: XZIWFQVPZRINAK-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C14-H18-N2-O.Cl-H.H2-O

Molecular Weight

  • 266.77
 
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Names and Synonyms

Synonym

  • 3-(tert-Butylamino)acetylindole hydrochloride hydrate

Systematic Name

  • Indole, 3-((tert-butylamino)acetyl)-, hydrochloride, hydrate

Registry Numbers

CAS Registry Number

  • 78907-16-1

System Generated Number

  • 0078907161

Molecular Formulas

Molecular Formula

  • C14-H18-N2-O.Cl-H.H2-O

Molecular Formula Fragments

  • C14-H18-N2-O
  • Cl-H
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C14H18N2O.ClH/c1-14(2,3)16-9-13(17)11-8-15-12-7-5-4-6-10(11)12;/h4-8,15-16H,9H2,1-3H3;1H

InChIKey

XZIWFQVPZRINAK-UHFFFAOYSA-N

Smiles

c12c(c[nH]c1cccc2)C(C[NH2+]C(C)(C)C)=O.[ClH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 90mg/kg (90mg/kg) BEHAVIORAL: WAKEFULNESS Pharmaceutical Chemistry Journal Vol. 15, Pg. 412, 1981.
mouse LD50 oral 410mg/kg (410mg/kg)   Pharmaceutical Chemistry Journal Vol. 15, Pg. 412, 1981.
mouse LD50 oral 410mg/kg (410mg/kg) BEHAVIORAL: WAKEFULNESS Pharmaceutical Chemistry Journal Vol. 15, Pg. 412, 1981.
mouse LD50 subcutaneous 275ug/kg (0.275mg/kg)   Pharmaceutical Chemistry Journal Vol. 15, Pg. 412, 1981.
mouse LD50 subcutaneous 275ug/kg (0.275mg/kg) BEHAVIORAL: WAKEFULNESS Pharmaceutical Chemistry Journal Vol. 15, Pg. 412, 1981.