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Substance Name: 1,3-Propanediol, 2-isopentyl-, dicarbamate
RN: 25462-26-4
InChIKey: DOJDFJNRVHUVFC-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C10-H20-N2-O4

Molecular Weight

  • 232.278
 
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Names and Synonyms

Synonym

  • 2-Isopentyl-1,3-propanediol dicarbamate

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 25462-26-4

System Generated Number

  • 0025462264

Structure Descriptors

InChI

1S/C10H20N2O4/c1-7(2)3-4-8(5-15-9(11)13)6-16-10(12)14/h7-8H,3-6H2,1-2H3,(H2,11,13)(H2,12,14)

InChIKey

DOJDFJNRVHUVFC-UHFFFAOYSA-N

Smiles

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