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Substance Name: Piperazinium, 1-(10,11-dihydro-5H-dibenzo(a,d)cyclohepten-5-yl)-4,4-dimethyl-, methyl sulfate
RN: 3774-39-8
InChIKey: FWLOIZTWQAKTKH-UHFFFAOYSA-M

Molecular Formula

  • C21-H27-N2.C-H3-O4-S

Molecular Weight

  • 418.555
 
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Names and Synonyms

Synonyms

  • (Dibenzo(a,d)cycloheptadienyl-5)-4 dimethyl-1,1 piperazinium methyl sulfate
  • 1-(10,11-Dihydro-5H-dibenzo(a,d)cyclohepten-5-yl)-4,4-dimethylpiperazinium methyl sulfate

Systematic Name

  • Piperazinium, 1-(10,11-dihydro-5H-dibenzo(a,d)cyclohepten-5-yl)-4,4-dimethyl-, methyl sulfate

Registry Numbers

CAS Registry Number

  • 3774-39-8

System Generated Number

  • 0003774398

Molecular Formulas

Molecular Formula

  • C21-H27-N2.C-H3-O4-S

Molecular Formula Fragments

  • C-H3-O4-S
  • C21-H27-N2
  • COMPONENT

Structure Descriptors

InChI

1S/C21H27N2.CH4O4S/c1-23(2)15-13-22(14-16-23)21-19-9-5-3-7-17(19)11-12-18-8-4-6-10-20(18)21;1-5-6(2,3)4/h3-10,21H,11-16H2,1-2H3;1H3,(H,2,3,4)/q+1;/p-1

InChIKey

FWLOIZTWQAKTKH-UHFFFAOYSA-M

Smiles

[N+]1(CCN(C2c3c(CCc4c2cccc4)cccc3)CC1)(C)C.S(=O)(=O)(OC)[O-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intramuscular 141mg/kg (141mg/kg)   Journal de Pharmacologie. Vol. 3, Pg. 47, 1972.