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Substance Name: 1,3-Propanediol, 2-ethyl-2-phenoxy-, monocarbamate
RN: 25451-62-1
InChIKey: BPRAYQRJTVYEDH-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C12-H17-N-O4

Molecular Weight

  • 239.269
 
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Names and Synonyms

Synonym

  • 2-Ethyl-2-phenoxy-1,3-propanediol monocarbamate

Systematic Name

  • 1,3-Propanediol, 2-ethyl-2-phenoxy-, monocarbamate

Registry Numbers

CAS Registry Number

  • 25451-62-1

System Generated Number

  • 0025451621

Structure Descriptors

InChI

1S/C12H17NO4/c1-2-12(8-14,9-16-11(13)15)17-10-6-4-3-5-7-10/h3-7,14H,2,8-9H2,1H3,(H2,13,15)

InChIKey

BPRAYQRJTVYEDH-UHFFFAOYSA-N

Smiles

C([C@@](CO)(Oc1ccccc1)CC)OC(N)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal > 620mg/kg (620mg/kg) AUTONOMIC NERVOUS SYSTEM: "SMOOTH MUSCLE RELAXANT (MECHANISM UNDEFINED, SPASMOLYTIC)" Journal of Medicinal Chemistry. Vol. 12, Pg. 462, 1969.