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Substance Name: 1,3-Propanediol, 2-butyl-2-ethyl-, ethylcarbamate
RN: 25384-53-6
InChIKey: NLQAPNFYYXMZEG-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C12-H25-N-O3

Molecular Weight

  • 231.333
 
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Names and Synonyms

Synonym

  • 2-Butyl-2-ethyl-1,3-propanediol ethylcarbamate

Systematic Name

  • 1,3-Propanediol, 2-butyl-2-ethyl-, ethylcarbamate

Registry Numbers

CAS Registry Number

  • 25384-53-6

System Generated Number

  • 0025384536

Structure Descriptors

InChI

1S/C12H25NO3/c1-4-7-8-12(5-2,9-14)10-16-11(15)13-6-3/h14H,4-10H2,1-3H3,(H,13,15)

InChIKey

NLQAPNFYYXMZEG-UHFFFAOYSA-N

Smiles

C(=O)(OC[C@@](CO)(CC)CCCC)NCC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 950mg/kg (950mg/kg)   Journal of Medicinal Chemistry. Vol. 12, Pg. 462, 1969.