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Substance Name: 1,3-Propanediol, 2-sec-butyl-2-methyl-, carbamate, propylcarbamate
RN: 25385-07-3
InChIKey: CHRFQIPAIYEJEP-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-sec-Butyl-2-methyl-1,3-propanediol carbamate propylcarbamate
  • BRN 3054491

Systematic Name

  • 1,3-Propanediol, 2-sec-butyl-2-methyl-, carbamate, propylcarbamate

Registry Numbers

CAS Registry Number

  • 25385-07-3

System Generated Number

  • 0025385073

Structure Descriptors

InChI

1S/C13H26N2O4/c1-5-7-15-12(17)19-9-13(4,10(3)6-2)8-18-11(14)16/h10H,5-9H2,1-4H3,(H2,14,16)(H,15,17)

InChIKey

CHRFQIPAIYEJEP-UHFFFAOYSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 620mg/kg (620mg/kg)   Journal of Medicinal Chemistry. Vol. 12, Pg. 462, 1969.