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Substance Name: Pyrrolo(2,1-b)benzothiazolium, 1,2,3,3a-tetrahydro-3a,9-dimethyl-, chloride
RN: 34250-53-8
InChIKey: MUNSQUURIYKQFV-UHFFFAOYSA-M

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C12-H16-N-S.Cl

Molecular Weight

  • 241.784
 
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Names and Synonyms

Synonyms

  • 1,2,3,3a-Tetrahydro-3a,9-dimethylpyrrolo(2,1-b)benzothiazolium chloride
  • 3a,9-Dimethyl-1,2,3,3a-tetrahydropyrrolo(2,1-b)benzothiazolium chloride

Systematic Name

  • Pyrrolo(2,1-b)benzothiazolium, 1,2,3,3a-tetrahydro-3a,9-dimethyl-, chloride

Registry Numbers

CAS Registry Number

  • 34250-53-8

System Generated Number

  • 0034250538

Molecular Formulas

Molecular Formula

  • C12-H16-N-S.Cl

Molecular Formula Fragments

  • C12-H16-N-S
  • Cl
  • COMPONENT

Structure Descriptors

InChI

1S/C12H16NS.ClH/c1-12-8-5-9-13(12,2)10-6-3-4-7-11(10)14-12;/h3-4,6-7H,5,8-9H2,1-2H3;1H/q+1;/p-1

InChIKey

MUNSQUURIYKQFV-UHFFFAOYSA-M

Smiles

S1[C@@]2([N@@+](c3c1cccc3)(CCC2)C)C.[ClH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 72mg/kg (72mg/kg) SENSE ORGANS AND SPECIAL SENSES: OTHER: EYE

LUNGS, THORAX, OR RESPIRATION: DYSPNEA

BEHAVIORAL: MUSCLE CONTRACTION OR SPASTICITY)
Farmatsevtichnii Zhurnal Vol. 26(5), Pg. 20, 1971.