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Substance Name: 1,3-Propanediol, 2-methyl-2-propyl-, monocarbanilate
RN: 25451-66-5
InChIKey: JNSWVLAXTMFCPS-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C14-H21-N-O3

Molecular Weight

  • 251.324
 
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Names and Synonyms

Synonyms

  • 2-Methyl-2-propyl-1,3-propanediol monocarbanilate
  • BRN 3093364
  • N-Phenyl-2-methyl-2-propyl-2-hydroxypropyl carbamate

Systematic Name

  • 1,3-Propanediol, 2-methyl-2-propyl-, monocarbanilate

Registry Numbers

CAS Registry Number

  • 25451-66-5

System Generated Number

  • 0025451665

Structure Descriptors

InChI

1S/C14H21NO3/c1-3-9-14(2,10-16)11-18-13(17)15-12-7-5-4-6-8-12/h4-8,16H,3,9-11H2,1-2H3,(H,15,17)

InChIKey

JNSWVLAXTMFCPS-UHFFFAOYSA-N

Smiles

C([C@@](CO)(CCC)C)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.