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Substance Name: Indole, 1-acetyl-3-(2-amino-1-benzylthioethyl)-, hydrochloride
RN: 35891-42-0
InChIKey: XQHXTHJJCBXZLB-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C19-H20-N2-O-S.Cl-H

Molecular Weight

  • 360.9069
 
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Names and Synonyms

Synonym

  • 1-Benzylmercapto-1-(1'-acetyl-3'-indolyl)-2-aminoethane hydrochloride

Systematic Name

  • Indole, 1-acetyl-3-(2-amino-1-benzylthioethyl)-, hydrochloride

Registry Numbers

CAS Registry Number

  • 35891-42-0

System Generated Number

  • 0035891420

Molecular Formulas

Molecular Formula

  • C19-H20-N2-O-S.Cl-H

Molecular Formula Fragments

  • C19-H20-N2-O-S
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C19H20N2OS.ClH/c1-14(22)21-12-17(16-9-5-6-10-18(16)21)19(11-20)23-13-15-7-3-2-4-8-15;/h2-10,12,19H,11,13,20H2,1H3;1H

InChIKey

XQHXTHJJCBXZLB-UHFFFAOYSA-N

Smiles

CC(=O)n1cc(c2c1cccc2)C(C[NH3+])SCc3ccccc3.[Cl-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 45mg/kg (45mg/kg) BEHAVIORAL: SLEEP

VASCULAR: STRICTIRA; CJAMGES OM VESSE;S

BEHAVIORAL: MUSCLE CONTRACTION OR SPASTICITY)
Pharmaceutical Chemistry Journal Vol. 5, Pg. 725, 1971.