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Substance Name: 1,3-Propanediol, 2-methyl-2-propyl-, butylcarbamate
RN: 23787-20-4
InChIKey: ONLCMWSDRRGYML-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C12-H25-N-O3

Molecular Weight

  • 231.333
 
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Names and Synonyms

Synonyms

  • 2-Methyl-2-propyl-1,3-propanediol butylcarbamate
  • BRN 2414384

Systematic Name

  • 1,3-Propanediol, 2-methyl-2-propyl-, butylcarbamate

Registry Numbers

CAS Registry Number

  • 23787-20-4

System Generated Number

  • 0023787204

Structure Descriptors

InChI

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

InChIKey

ONLCMWSDRRGYML-UHFFFAOYSA-N

Smiles

C(=O)(OC[C@@](CO)(CCC)C)NCCCC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 900mg/kg (900mg/kg)   Journal of Medicinal Chemistry. Vol. 12, Pg. 462, 1969.