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Substance Name: Methylpiperazino-ranitidine
RN: 102787-23-5
InChIKey: LBKISORLSHHLLV-GHRIWEEISA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C17-H29-N5-O3-S

Molecular Weight

  • 383.5141
 
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Names and Synonyms

Results Name

  • Methylpiperazino-ranitidine

Synonym

  • Methylpiperazino-ranitidine

Systematic Name

  • 1-Piperazinemethanamine, N-(2-(((5-((dimethylamino)methyl)-2-furanyl)methyl)thio)ethyl)-4-methyl-alpha-(nitromethylene)-

Registry Numbers

CAS Registry Number

  • 102787-23-5

System Generated Number

  • 0102787235

Structure Descriptors

InChI

1S/C17H29N5O3S/c1-19(2)12-15-4-5-16(25-15)14-26-11-6-18-17(13-22(23)24)21-9-7-20(3)8-10-21/h4-5,13,18H,6-12,14H2,1-3H3/b17-13+

InChIKey

LBKISORLSHHLLV-GHRIWEEISA-N

Smiles

CN1CCN(CC1)/C(=C/[N+](=O)[O-])/NCCSCc2ccc(o2)CN(C)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intramuscular 300mg/kg (300mg/kg)   United States Patent Document. Vol. #4613602,
mouse LD50 intravenous 120mg/kg (120mg/kg)   United States Patent Document. Vol. #4613602,
mouse LD50 oral 2610mg/kg (2610mg/kg)   United States Patent Document. Vol. #4613602,
rat LD50 intramuscular 2gm/kg (2000mg/kg)   United States Patent Document. Vol. #4613602,
rat LD50 intravenous 110mg/kg (110mg/kg)   United States Patent Document. Vol. #4613602,
rat LD50 oral 5500mg/kg (5500mg/kg)   United States Patent Document. Vol. #4613602,