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Substance Name: Pyrrolidinium, 2,5-dimethyl-1-(5-(2,5-dimethylpyrrolidino)-2,4-pentadienylidene)-, chloride, sesquihydrate
RN: 63886-45-3
InChIKey: CZIMJLOHMKPSNF-UHFFFAOYSA-L

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C17-H29-N2.Cl.3/2H2-O

Molecular Weight

  • 647.8106
 
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Names and Synonyms

  • Pyrrolidinium, 2,5-dimethyl-1-(5-(2,5-dimethylpyrrolidino)-2,4-pentadienylidene)-, chloride, sesquihydrate

Registry Numbers

CAS Registry Number

  • 63886-45-3

System Generated Number

  • 0063886453

Molecular Formulas

Molecular Formula

  • C17-H29-N2.Cl.3/2H2-O

Molecular Formula Fragments

  • C17-H29-N2
  • Cl
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/2C17H29N2.2ClH.3H2O/c2*1-14-8-9-15(2)18(14)12-6-5-7-13-19-16(3)10-11-17(19)4;;;;;/h2*5-7,12-17H,8-11H2,1-4H3;2*1H;3*1H2/q2*+1;;;;;/p-2

InChIKey

CZIMJLOHMKPSNF-UHFFFAOYSA-L

Smiles

CC1N(C(CC1)C)/C=C/C=C/C=[N+]2C(CCC2C)C.CC1N(C(CC1)C)/C=C/C=C/C=[N+]2C(CCC2C)C.O.O.O.[Cl-].[Cl-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 10mg/kg (10mg/kg)   Journal of Medicinal Chemistry. Vol. 12, Pg. 806, 1969.
mouse LD50 oral 50mg/kg (50mg/kg)   Journal of Medicinal Chemistry. Vol. 12, Pg. 806, 1969.