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Substance Name: 1,3-Propanediol, 2-methyl-2-(2-propynyl)-, dicarbamate
RN: 25462-40-2
InChIKey: NJPNQDCWBKBBLC-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C9-H14-N2-O4

Molecular Weight

  • 214.22
 
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Names and Synonyms

Synonyms

  • 2-Methyl-2-(2-propynyl)-1,3-propanediol dicarbamate
  • BRN 1875733

Systematic Name

  • 1,3-Propanediol, 2-methyl-2-(2-propynyl)-, dicarbamate

Registry Numbers

CAS Registry Number

  • 25462-40-2

System Generated Number

  • 0025462402

Structure Descriptors

InChI

1S/C9H14N2O4/c1-3-4-9(2,5-14-7(10)12)6-15-8(11)13/h1H,4-6H2,2H3,(H2,10,12)(H2,11,13)

InChIKey

NJPNQDCWBKBBLC-UHFFFAOYSA-N

Smiles

C(C(COC(N)=O)(CC#C)C)OC(N)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal > 420mg/kg (420mg/kg) AUTONOMIC NERVOUS SYSTEM: "SMOOTH MUSCLE RELAXANT (MECHANISM UNDEFINED, SPASMOLYTIC)" Journal of Medicinal Chemistry. Vol. 12, Pg. 462, 1969.