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Substance Name: 1,3-Propanediol, 2-isobutyl-, dicarbamate
RN: 25462-19-5
InChIKey: AZKKWGXMQLTBNB-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C9-H18-N2-O4

Molecular Weight

  • 218.251
 
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Names and Synonyms

Synonym

  • 2-Isobutyl-1,3-propanediol dicarbamate

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 25462-19-5

System Generated Number

  • 0025462195

Structure Descriptors

InChI

1S/C9H18N2O4/c1-6(2)3-7(4-14-8(10)12)5-15-9(11)13/h6-7H,3-5H2,1-2H3,(H2,10,12)(H2,11,13)

InChIKey

AZKKWGXMQLTBNB-UHFFFAOYSA-N

Smiles

C(=O)(OCC(COC(=O)N)CC(C)C)N

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 3200mg/kg (3200mg/kg)   Journal of Medicinal Chemistry. Vol. 12, Pg. 462, 1969.