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Substance Name: 1H-Pyrrole, 2,5-dimethyl-1-(4-((4-nitrophenyl)thio)phenyl)-
RN: 66603-27-8
InChIKey: HUQJANNJQJBHAP-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C18-H16-N2-O2-S

Molecular Weight

  • 324.4024
 
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Names and Synonyms

Synonyms

  • (Nitro-4' phenylthio-4 phenyl)-1 dimethyl-2,5 pyrrole
  • (Nitro-4' phenylthio-4 phenyl)-1 dimethyl-2,5 pyrrole [French]
  • 2,5-Dimethyl-1-(4-((4-nitrophenyl)thio)phenyl)-1H-pyrrole
  • 5-20-05-00067 (Beilstein Handbook Reference)
  • BRN 1595584

Systematic Name

  • 1H-Pyrrole, 2,5-dimethyl-1-(4-((4-nitrophenyl)thio)phenyl)-

Registry Numbers

CAS Registry Number

  • 66603-27-8

System Generated Number

  • 0066603278

Structure Descriptors

InChI

1S/C18H16N2O2S/c1-13-3-4-14(2)19(13)15-5-9-17(10-6-15)23-18-11-7-16(8-12-18)20(21)22/h3-12H,1-2H3

InChIKey

HUQJANNJQJBHAP-UHFFFAOYSA-N

Smiles

Cc1ccc(n1c2ccc(cc2)Sc3ccc(cc3)[N+](=O)[O-])C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 2gm/kg (2000mg/kg) BRAIN AND COVERINGS: RECORDINGS FROM SPECIFIC AREAS OF CNS

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)
European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 13, Pg. 93, 1978.
mouse LD50 subcutaneous 2gm/kg (2000mg/kg) BRAIN AND COVERINGS: RECORDINGS FROM SPECIFIC AREAS OF CNS

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)
European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 13, Pg. 93, 1978.