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Substance Name: 1,3-Propanediol, 2-ethyl-, monocarbanilate
RN: 25451-65-4
InChIKey: BDRYUPSBSJWEFN-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C12-H17-N-O3

Molecular Weight

  • 223.27
 
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Names and Synonyms

Synonyms

  • 2-Ethyl-1,3-propanediol monocarbanilate
  • BRN 3092622

Systematic Name

  • 1,3-Propanediol, 2-ethyl-, monocarbanilate

Registry Numbers

CAS Registry Number

  • 25451-65-4

System Generated Number

  • 0025451654

Structure Descriptors

InChI

1S/C12H17NO3/c1-2-10(8-14)9-16-12(15)13-11-6-4-3-5-7-11/h3-7,10,14H,2,8-9H2,1H3,(H,13,15)

InChIKey

BDRYUPSBSJWEFN-UHFFFAOYSA-N

Smiles

C([C@@H](CO)CC)OC(Nc1ccccc1)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal > 420mg/kg (420mg/kg) AUTONOMIC NERVOUS SYSTEM: "SMOOTH MUSCLE RELAXANT (MECHANISM UNDEFINED, SPASMOLYTIC)" Journal of Medicinal Chemistry. Vol. 12, Pg. 462, 1969.