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Substance Name: 1,3-Propanediol, 2-methyl-2-propyl-, 2-butenylcarbamate, ethylcarbamate
RN: 25658-39-3
InChIKey: PFOHZZSOQLQDSR-VMPITWQZSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C15-H28-N2-O4

Molecular Weight

  • 300.396
 
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Names and Synonyms

Synonyms

  • 2-Methyl-2-propyl-1,3-propanediol 2-butenylcarbamate ethylcarbamate
  • BRN 2140738

Systematic Name

  • 1,3-Propanediol, 2-methyl-2-propyl-, 2-butenylcarbamate, ethylcarbamate

Registry Numbers

CAS Registry Number

  • 25658-39-3

System Generated Number

  • 0025658393

Structure Descriptors

InChI

1S/C15H28N2O4/c1-5-8-10-17-14(19)21-12-15(4,9-6-2)11-20-13(18)16-7-3/h5,8H,6-7,9-12H2,1-4H3,(H,16,18)(H,17,19)/b8-5+

InChIKey

PFOHZZSOQLQDSR-VMPITWQZSA-N

Smiles

C(=O)(OC[C@@](COC(=O)NCC)(CCC)C)NC\C=C\C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 1460mg/kg (1460mg/kg)   Journal of Medicinal Chemistry. Vol. 12, Pg. 462, 1969.