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Substance Name: 1,3-Propanediol, 2-butyl-, carbamate
RN: 25451-52-9
InChIKey: YLQRXLUMXFSAAG-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C8-H17-N-O3

Molecular Weight

  • 175.226
 
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Names and Synonyms

Synonyms

  • 2-Butyl-1,3-propanediol monocarbamate
  • BRN 2961833

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 25451-52-9

System Generated Number

  • 0025451529

Structure Descriptors

InChI

1S/C8H17NO3/c1-2-3-4-7(5-10)6-12-8(9)11/h7,10H,2-6H2,1H3,(H2,9,11)

InChIKey

YLQRXLUMXFSAAG-UHFFFAOYSA-N

Smiles

C(=O)(OC[C@@H](CO)CCCC)N

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 580mg/kg (580mg/kg)   Journal of Medicinal Chemistry. Vol. 12, Pg. 462, 1969.