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Substance Name: 1,3-Propanediol, 2-sec-butyl-2-methyl-, 2-propynylcarbamate
RN: 25384-49-0
InChIKey: MHUKGVQDAKFWOK-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C12-H21-N-O3

Molecular Weight

  • 227.302
 
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Names and Synonyms

Synonyms

  • 2-sec-Butyl-2-methyl-1,3-propanediol 2-propynylcarbamate
  • BRN 3049117

Systematic Name

  • 1,3-Propanediol, 2-sec-butyl-2-methyl-, 2-propynylcarbamate

Registry Numbers

CAS Registry Number

  • 25384-49-0

System Generated Number

  • 0025384490

Structure Descriptors

InChI

1S/C12H21NO3/c1-5-7-13-11(15)16-9-12(4,8-14)10(3)6-2/h1,10,14H,6-9H2,2-4H3,(H,13,15)

InChIKey

MHUKGVQDAKFWOK-UHFFFAOYSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 440mg/kg (440mg/kg)   Journal of Medicinal Chemistry. Vol. 12, Pg. 462, 1969.