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Substance Name: 1,3-Propanediol, 2-isopropyl-, dicarbamate
RN: 25457-63-0
InChIKey: FXZJJTBBLLGDRH-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C8-H16-N2-O4

Molecular Weight

  • 204.224
 
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Names and Synonyms

Synonym

  • 2-Isopropyl-1,3-propanediol dicarbamate

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 25457-63-0

System Generated Number

  • 0025457630

Structure Descriptors

InChI

1S/C8H16N2O4/c1-5(2)6(3-13-7(9)11)4-14-8(10)12/h5-6H,3-4H2,1-2H3,(H2,9,11)(H2,10,12)

InChIKey

FXZJJTBBLLGDRH-UHFFFAOYSA-N

Smiles

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