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Substance Name: 1,3-Propanediol, 2,2-dibenzyl-, dicarbamate
RN: 25451-46-1
InChIKey: KMVDKBLIWZGDTG-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C19-H22-N2-O4

Molecular Weight

  • 342.393
 
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Names and Synonyms

Synonyms

  • 2,2-Dibenzyl-1,3-propanediol dicarbamate
  • BRN 3004365

Systematic Name

  • 1,3-Propanediol, 2,2-dibenzyl-, dicarbamate

Registry Numbers

CAS Registry Number

  • 25451-46-1

System Generated Number

  • 0025451461

Structure Descriptors

InChI

1S/C19H22N2O4/c20-17(22)24-13-19(14-25-18(21)23,11-15-7-3-1-4-8-15)12-16-9-5-2-6-10-16/h1-10H,11-14H2,(H2,20,22)(H2,21,23)

InChIKey

KMVDKBLIWZGDTG-UHFFFAOYSA-N

Smiles

C(C(COC(N)=O)(Cc1ccccc1)Cc1ccccc1)OC(N)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal > 3200mg/kg (3200mg/kg) AUTONOMIC NERVOUS SYSTEM: "SMOOTH MUSCLE RELAXANT (MECHANISM UNDEFINED, SPASMOLYTIC)" Journal of Medicinal Chemistry. Vol. 12, Pg. 462, 1969.