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Substance Name: 1,3-Propanediol, 2-methyl-2-propyl-, carbamate carbanilate (ester)
RN: 25451-73-4
InChIKey: IKSPSBQCYQRTCM-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C15-H22-N2-O4

Molecular Weight

  • 294.349
 
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Names and Synonyms

Synonym

  • 2-Methyl-2-propyl-1,3-propanediol carbamate carbanilate (ester)

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 25451-73-4

System Generated Number

  • 0025451734

Structure Descriptors

InChI

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

InChIKey

IKSPSBQCYQRTCM-UHFFFAOYSA-N

Smiles

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