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Substance Name: Benzenemethanamine, N-methyl-N-(2-((2,3,4-trimethoxyphenyl)sulfonyl)ethyl)-
RN: 103595-57-9
InChIKey: GYIKTPXZXCJXBN-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C19-H25-N-O5-S

Molecular Weight

  • 379.474
 
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Names and Synonyms

Synonyms

  • BRN 5632306
  • N-Methyl-N-(2-((2,3,4-trimethoxyphenyl)sulfonyl)ethyl)benzenemethanamine

Systematic Name

  • Benzenemethanamine, N-methyl-N-(2-((2,3,4-trimethoxyphenyl)sulfonyl)ethyl)-

Registry Numbers

CAS Registry Number

  • 103595-57-9

System Generated Number

  • 0103595579

Structure Descriptors

InChI

1S/C19H25NO5S/c1-20(14-15-8-6-5-7-9-15)10-11-26(21,22)16-12-17(23-2)19(25-4)18(13-16)24-3/h5-9,12-13H,10-11,14H2,1-4H3

InChIKey

GYIKTPXZXCJXBN-UHFFFAOYSA-N

Smiles

c1c(OC)c(OC)c(OC)cc1S(=O)(=O)CC[N@@](C)Cc1ccccc1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD intraperitoneal > 500mg/kg (500mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

SENSE ORGANS AND SPECIAL SENSES: PTOSIS: EYE
European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 21, Pg. 131, 1986.

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 2.18 (none)   EXP
Water Solubility 574 mg/L 25 EST
Vapor Pressure 1.03E-09 mm Hg 25 EST
Henry's Law Constant 1.37E-14 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.47E-10 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.