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Substance Name: 1,3-Propanediol, 2-phenyl-, carbamate carbanilate (ester)
RN: 25451-70-1
InChIKey: IHRYEZVGKKEZJA-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C17-H18-N2-O4

Molecular Weight

  • 314.339
 
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Names and Synonyms

Synonym

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

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 25451-70-1

System Generated Number

  • 0025451701

Structure Descriptors

InChI

1S/C17H18N2O4/c18-16(20)22-11-14(13-7-3-1-4-8-13)12-23-17(21)19-15-9-5-2-6-10-15/h1-10,14H,11-12H2,(H2,18,20)(H,19,21)

InChIKey

IHRYEZVGKKEZJA-UHFFFAOYSA-N

Smiles

C(=O)(OC[C@@H](COC(N)=O)c1ccccc1)Nc1ccccc1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal > 620mg/kg (620mg/kg) AUTONOMIC NERVOUS SYSTEM: "SMOOTH MUSCLE RELAXANT (MECHANISM UNDEFINED, SPASMOLYTIC)" Journal of Medicinal Chemistry. Vol. 12, Pg. 462, 1969.