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Substance Name: 1,3-Propanediol, 2-butyl-2-methyl-, carbamate, 2-propynylcarbamate
RN: 25385-05-1
InChIKey: OYMJHUCUQXLOTC-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C13-H22-N2-O4

Molecular Weight

  • 270.327
 
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Names and Synonyms

Synonyms

  • 2-Butyl-2-methyl-1,3-propanediol carbamate 2-propynylcarbamate
  • BRN 3055208

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 25385-05-1

System Generated Number

  • 0025385051

Structure Descriptors

InChI

1S/C13H22N2O4/c1-4-6-7-13(3,9-18-11(14)16)10-19-12(17)15-8-5-2/h2H,4,6-10H2,1,3H3,(H2,14,16)(H,15,17)

InChIKey

OYMJHUCUQXLOTC-UHFFFAOYSA-N

Smiles

C(=O)(OC[C@@](COC(=O)N)(CCCC)C)NCC#C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 345mg/kg (345mg/kg)   Journal of Medicinal Chemistry. Vol. 12, Pg. 462, 1969.