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Substance Name: 1,3-Propanediol, 2-ethyl-2-isopropyl-, carbamate, isopropylcarbamate
RN: 25385-22-2
InChIKey: GMCIKUIXWWYNKS-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C13-H26-N2-O4

Molecular Weight

  • 274.358
 
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Names and Synonyms

Synonyms

  • 2-Ethyl-2-isopropyl-1,3-propanediol carbamate isopropylcarbamate
  • BRN 3054460

Systematic Name

  • 1,3-Propanediol, 2-ethyl-2-isopropyl-, carbamate, isopropylcarbamate

Registry Numbers

CAS Registry Number

  • 25385-22-2

System Generated Number

  • 0025385222

Structure Descriptors

InChI

1S/C13H26N2O4/c1-6-13(9(2)3,7-18-11(14)16)8-19-12(17)15-10(4)5/h9-10H,6-8H2,1-5H3,(H2,14,16)(H,15,17)

InChIKey

GMCIKUIXWWYNKS-UHFFFAOYSA-N

Smiles

C(NC(C)C)(OC[C@@](COC(=O)N)(C(C)C)CC)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 730mg/kg (730mg/kg)   Journal of Medicinal Chemistry. Vol. 12, Pg. 462, 1969.