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Substance Name: 1,3-Propanediol, 2-methyl-, dicarbamate
RN: 25451-10-9
InChIKey: BJEMWSMDPJQCBQ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C6-H12-N2-O4

Molecular Weight

  • 176.171
 
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Names and Synonyms

Synonyms

  • 2-Methyl-1,3-propanediol dicarbamate
  • 4-03-00-00071 (Beilstein Handbook Reference)
  • BRN 1776162

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 25451-10-9

System Generated Number

  • 0025451109

Structure Descriptors

InChI

1S/C6H12N2O4/c1-4(2-11-5(7)9)3-12-6(8)10/h4H,2-3H2,1H3,(H2,7,9)(H2,8,10)

InChIKey

BJEMWSMDPJQCBQ-UHFFFAOYSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal > 3200mg/kg (3200mg/kg) AUTONOMIC NERVOUS SYSTEM: "SMOOTH MUSCLE RELAXANT (MECHANISM UNDEFINED, SPASMOLYTIC)" Journal of Medicinal Chemistry. Vol. 12, Pg. 462, 1969.