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Substance Name: 1,3-Propanediol, 2,2-diphenyl-, carbamate carbanilate (ester)
RN: 25457-65-2
InChIKey: ILFFTYFQSYLCRH-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C23-H22-N2-O4

Molecular Weight

  • 390.437
 
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Names and Synonyms

Synonyms

  • 2,2-Diphenyl-1,3-propanediol carbamate carbanilate (ester)
  • BRN 3111028

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 25457-65-2

System Generated Number

  • 0025457652

Structure Descriptors

InChI

1S/C23H22N2O4/c24-21(26)28-16-23(18-10-4-1-5-11-18,19-12-6-2-7-13-19)17-29-22(27)25-20-14-8-3-9-15-20/h1-15H,16-17H2,(H2,24,26)(H,25,27)

InChIKey

ILFFTYFQSYLCRH-UHFFFAOYSA-N

Smiles

C(=O)(OCC(COC(N)=O)(c1ccccc1)c1ccccc1)Nc1ccccc1

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.