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63394-05-8

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Basic Information
CAS No.: 63394-05-8
Name: plafibride
Article Data: 2
Molecular Structure:
Molecular Structure of 63394-05-8 (plafibride)
Formula: C16H22 Cl N3 O4
Molecular Weight: 355.821
Synonyms: ITA 104;Idonor; Perifunal; Plafibride
Density: 1.251g/cm3
Melting Point: 100-102°
Safety: Poison by intravenous route. Moderately toxic by ingestion and intraperitoneal routes. Experimental teratogenic and reproductive effects. Used as an antithrombotic agent. When heated to decomposition it emits very toxic fumes of Cl− and NOx.
PSA: 79.90000
LogP: 2.33260
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Chemistry

Product Name: Plafibride (CAS NO.63394-05-8)


Molecular Formula: C16H22ClN3O4
Molecular Weight: 355.86g/mol
Mol File: 63394-05-8.mol
Einecs: 264-121-2
Density: 1.251 g/cm3
Surface Tension: 46.3 dyne/cm
XLogP3-AA: 2.4
H-Bond Donor: 2
H-Bond Acceptor: 5
Structure Descriptors of Plafibride (CAS NO.63394-05-8):
  IUPAC Name: 2-(4-chlorophenoxy)-2-methyl-N-(morpholin-4-ylmethylcarbamoyl)propanamide
  Canonical SMILES: CC(C)(C(=O)NC(=O)NCN1CCOCC1)OC2=CC=C(C=C2)Cl
  InChI: InChI=1S/C16H22ClN3O4/c1-16(2,24-13-5-3-12(17)4-6-13)14(21)19-15(22)18-11-20-7-9-23-10-8-20/h3-6H,7-11H2,1-2H3,(H2,18,19,21,22) 
  InChIKey: DDDQVDIPBFGVIG-UHFFFAOYSA-N

Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
guinea pig LD50 oral 2168mg/kg (2168mg/kg)   Archivos de Farmacologia y Toxicologia. Vol. 4, Pg. 137, 1978.
hamster LD50 intraperitoneal 880mg/kg (880mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 31, Pg. 1816, 1981.
hamster LD50 oral > 4gm/kg (4000mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 31, Pg. 1816, 1981.
mouse LD50 intraperitoneal 710mg/kg (710mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 31, Pg. 1816, 1981.
mouse LD50 intravenous 126mg/kg (126mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 31, Pg. 1816, 1981.
mouse LD50 oral 3365mg/kg (3365mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 31, Pg. 1816, 1981.
rat LD50 intraperitoneal 975mg/kg (975mg/kg)   Archivos de Farmacologia y Toxicologia. Vol. 4, Pg. 137, 1978.
rat LD50 intravenous 95mg/kg (95mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 31, Pg. 1816, 1981.
rat LD50 oral > 4gm/kg (4000mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 31, Pg. 1816, 1981.

Safety Profile

Poison by intravenous route. Moderately toxic by ingestion and intraperitoneal routes. Experimental teratogenic and reproductive effects. Used as an antithrombotic agent. When heated to decomposition it emits very toxic fumes of Cl− and NOx.

Specification

 Plafibride ,its CAS NO. is 63394-05-8,the synonyms is 1-(2-(p-Chlorophenoxy)-2-methylpropionyl)-3-(morpholinomethyl)urea ; BRN 0569805 ; EINECS 264-121-2 ; ITA-104 ; Idonor ; N'-Morpholinomethylurea, N-2-(p-chlorophenoxy)isobutyryl- ; N-2(p-Chlorophenoxy)-2-methylpropionyl-N'-morpholinomethylurea ; N-2(p-Chlorophenoxy)isobutyryl-N'-morpholinomethylurea ; Perifunal ; Plafibridum ; UNII-5J7C4JZ564 ; Propanamide, 2-(4-chlorophenoxy)-2-methyl-N-(((4-morpholinylmethyl)amino)carbonyl)- .