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Substance Name: Carbamic acid, ethyl-, beta-ethyl-beta-(hydroxymethyl)phenethyl ester, carbamate (ester)
RN: 25642-68-6
InChIKey: AUQYMEZBOHTSIQ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C15-H22-N2-O4

Molecular Weight

  • 294.349
 
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Names and Synonyms

Synonyms

  • beta-Ethyl-beta-(hydroxymethyl)phenethyl ethylcarbamate carbamate (ester)
  • BRN 3064085
  • Ethylcarbamic acid beta-ethyl-beta-(hydroxymethyl)phenethyl ester carbamate (ester)

Systematic Name

  • Carbamic acid, ethyl-, beta-ethyl-beta-(hydroxymethyl)phenethyl ester, carbamate (ester)

Registry Numbers

CAS Registry Number

  • 25642-68-6

System Generated Number

  • 0025642686

Structure Descriptors

InChI

1S/C15H22N2O4/c1-3-15(10-17-13(18)19,11-21-14(20)16-4-2)12-8-6-5-7-9-12/h5-9,17H,3-4,10-11H2,1-2H3,(H,16,20)(H,18,19)

InChIKey

AUQYMEZBOHTSIQ-UHFFFAOYSA-N

Smiles

C(NC[C@@](COC(NCC)=O)(c1ccccc1)CC)(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal > 280mg/kg (280mg/kg) AUTONOMIC NERVOUS SYSTEM: "SMOOTH MUSCLE RELAXANT (MECHANISM UNDEFINED, SPASMOLYTIC)" Journal of Medicinal Chemistry. Vol. 12, Pg. 462, 1969.