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Substance Name: WR 81844
RN: 21062-28-2
InChIKey: ULEFBGMSKLBBKF-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C19-H25-Cl2-N7

Molecular Weight

  • 422.362
 
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Names and Synonyms

Results Name

  • WR 81844

Name of Substance

  • 1-(3,4-Dichlorophenyl)-3-(4-((1-ethyl-3-piperidyl)amino)-6-methyl-2-pyrimidinyl)guanidine

Synonyms

  • N-(3,4-Dichlorophenyl)-N'-(4-((1-ethyl-3-piperidyl)amino)-6-methyl-2-pyrimidinyl)guanidine
  • NSC 129407
  • WR 81844

Systematic Name

  • Guanidine, 1-(3,4-dichlorophenyl)-3-(4-((1-ethyl-3-piperidyl)amino)-6-methyl-2-pyrimidinyl)-

Registry Numbers

CAS Registry Number

  • 21062-28-2

System Generated Number

  • 0021062282

Structure Descriptors

InChI

1S/C19H25Cl2N7/c1-3-28-8-4-5-14(11-28)24-17-9-12(2)23-19(26-17)27-18(22)25-13-6-7-15(20)16(21)10-13/h6-7,9-10,14H,3-5,8,11H2,1-2H3,(H4,22,23,24,25,26,27)

InChIKey

ULEFBGMSKLBBKF-UHFFFAOYSA-N

Smiles

c1(N[C@@H]2C[N@@](CCC2)CC)nc(nc(c1)C)NC(Nc1cc(c(Cl)cc1)Cl)=N

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
guinea pig LD50 intraperitoneal 28mg/kg (28mg/kg) LUNGS, THORAX, OR RESPIRATION: DYSPNEA

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)
Journal of Medicinal Chemistry. Vol. 17, Pg. 75, 1974.
guinea pig LD50 oral 261mg/kg (261mg/kg)   Journal of Medicinal Chemistry. Vol. 17, Pg. 75, 1974.
guinea pig LD50 oral 261mg/kg (261mg/kg) LUNGS, THORAX, OR RESPIRATION: DYSPNEA

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)
Journal of Medicinal Chemistry. Vol. 17, Pg. 75, 1974.
mouse LD50 intraperitoneal 53mg/kg (53mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

LUNGS, THORAX, OR RESPIRATION: DYSPNEA
Journal of Medicinal Chemistry. Vol. 17, Pg. 75, 1974.
mouse LD50 oral 1128mg/kg (1128mg/kg) LUNGS, THORAX, OR RESPIRATION: DYSPNEA

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)
Journal of Medicinal Chemistry. Vol. 17, Pg. 75, 1974.
mouse LDLo subcutaneous 640mg/kg (640mg/kg)   Journal of Medicinal Chemistry. Vol. 17, Pg. 75, 1974.
rat LD50 intraperitoneal 65mg/kg (65mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

LUNGS, THORAX, OR RESPIRATION: DYSPNEA
Journal of Medicinal Chemistry. Vol. 17, Pg. 75, 1974.
rat LD50 oral 1041mg/kg (1041mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

LUNGS, THORAX, OR RESPIRATION: DYSPNEA
Journal of Medicinal Chemistry. Vol. 17, Pg. 75, 1974.