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Substance Name: Carbamic acid, 2-propynyl-, beta-(hydroxymethyl)-beta-methylphenethyl ester, carbamate (ester)
RN: 25385-14-2
InChIKey: NYQOOJAHHHPSQW-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C15-H18-N2-O4

Molecular Weight

  • 290.317
 
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Names and Synonyms

Synonyms

  • 2-Propynylcarbamic acid beta-(hydroxymethyl)-beta-methylphenethyl ester carbamate (ester)
  • BRN 3064410

Systematic Name

  • Carbamic acid, 2-propynyl-, beta-(hydroxymethyl)-beta-methylphenethyl ester, carbamate (ester)

Registry Numbers

CAS Registry Number

  • 25385-14-2

System Generated Number

  • 0025385142

Structure Descriptors

InChI

1S/C15H18N2O4/c1-3-9-17-14(19)21-11-15(2,10-20-13(16)18)12-7-5-4-6-8-12/h1,4-8H,9-11H2,2H3,(H2,16,18)(H,17,19)

InChIKey

NYQOOJAHHHPSQW-UHFFFAOYSA-N

Smiles

C(N)(=O)OC[C@@](COC(NCC#C)=O)(c1ccccc1)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal > 940mg/kg (940mg/kg) AUTONOMIC NERVOUS SYSTEM: "SMOOTH MUSCLE RELAXANT (MECHANISM UNDEFINED, SPASMOLYTIC)" Journal of Medicinal Chemistry. Vol. 12, Pg. 462, 1969.