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Substance Name: 1,3-Propanediol, 2,2-dibutyl-, dicarbamate
RN: 25451-44-9
InChIKey: JIZPWHWFDXWYMF-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C13-H26-N2-O4

Molecular Weight

  • 274.358
 
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Names and Synonyms

Synonyms

  • 2,2-Dibutyl-1,3-propanediol dicarbamate
  • BRN 2978179

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 25451-44-9

System Generated Number

  • 0025451449

Structure Descriptors

InChI

1S/C13H26N2O4/c1-3-5-7-13(8-6-4-2,9-18-11(14)16)10-19-12(15)17/h3-10H2,1-2H3,(H2,14,16)(H2,15,17)

InChIKey

JIZPWHWFDXWYMF-UHFFFAOYSA-N

Smiles

C(C(COC(N)=O)(CCCC)CCCC)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.