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Substance Name: 1,3-Propanediol, 2-methyl-2-propenyl-, dicarbamate
RN: 25451-32-5
InChIKey: MGHALAVECSSUGX-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C9-H16-N2-O4

Molecular Weight

  • 216.235
 
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Names and Synonyms

Synonyms

  • 2-Methyl-2-propenyl-1,3-propanediol dicarbamate
  • BRN 2972624

Systematic Name

  • 1,3-Propanediol, 2-methyl-2-propenyl-, dicarbamate

Registry Numbers

CAS Registry Number

  • 25451-32-5

System Generated Number

  • 0025451325

Structure Descriptors

InChI

1S/C9H16N2O4/c1-6(2)5-7(15-9(11)13)3-4-14-8(10)12/h7H,1,3-5H2,2H3,(H2,10,12)(H2,11,13)

InChIKey

MGHALAVECSSUGX-UHFFFAOYSA-N

Smiles

C([C@@H](CC(=C)C)OC(N)=O)COC(N)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal > 620mg/kg (620mg/kg) AUTONOMIC NERVOUS SYSTEM: "SMOOTH MUSCLE RELAXANT (MECHANISM UNDEFINED, SPASMOLYTIC)" Journal of Medicinal Chemistry. Vol. 12, Pg. 462, 1969.