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Substance Name: 1,3-Propanediol, 2-isopropyl-2-methyl-, carbamate carbanilate (ester)
RN: 25451-74-5
InChIKey: IREJKTHVTADOGC-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C15-H22-N2-O4

Molecular Weight

  • 294.349
 
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Names and Synonyms

Synonyms

  • 2-Isopropyl-2-methyl-1,3-propanediol carbamate carbanilate (ester)
  • BRN 3100031

Systematic Name

  • 1,3-Propanediol, 2-isopropyl-2-methyl-, carbamate carbanilate (ester)

Registry Numbers

CAS Registry Number

  • 25451-74-5

System Generated Number

  • 0025451745

Structure Descriptors

InChI

1S/C15H22N2O4/c1-11(2)15(3,9-20-13(16)18)10-21-14(19)17-12-7-5-4-6-8-12/h4-8,11H,9-10H2,1-3H3,(H2,16,18)(H,17,19)

InChIKey

IREJKTHVTADOGC-UHFFFAOYSA-N

Smiles

C(Nc1ccccc1)(=O)OC[C@@](COC(N)=O)(C)C(C)C

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.