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Substance Name: Phenoxathiinium, 2-chloro-10-methyl-, tetrafluoroborate(1-)
RN: 15615-40-4
InChIKey: QRROQIXCYBQNFJ-UHFFFAOYSA-J

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C13-H10-Cl-O-S.B-F4

Molecular Weight

  • 336.543
 
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Names and Synonyms

Synonym

  • 2-Chloro-10-methylphenoxathiinium tetrafluoroborate(1-)

Systematic Name

  • Phenoxathiinium, 2-chloro-10-methyl-, tetrafluoroborate(1-)

Registry Numbers

CAS Registry Number

  • 15615-40-4

System Generated Number

  • 0015615404

Molecular Formulas

Molecular Formula

  • C13-H10-Cl-O-S.B-F4

Molecular Formula Fragments

  • B-F4
  • C13-H10-Cl-O-S
  • COMPONENT

Structure Descriptors

InChI

1S/C13H10ClOS.B.4FH/c1-16-12-5-3-2-4-10(12)15-11-7-6-9(14)8-13(11)16;;;;;/h2-8H,1H3;;4*1H/q+1;+3;;;;/p-4

InChIKey

QRROQIXCYBQNFJ-UHFFFAOYSA-J

Smiles

c1cccc2Oc3ccc(cc3[S@@+](c12)C)Cl.[FH-].[FH-].[FH-].[FH-].[BH3+3]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 84mg/kg (84mg/kg) BRAIN AND COVERINGS: RECORDINGS FROM SPECIFIC AREAS OF CNS

SENSE ORGANS AND SPECIAL SENSES: PTOSIS: EYE
Archives Internationales de Pharmacodynamie et de Therapie. Vol. 169, Pg. 211, 1967.
mouse LD50 oral 1070mg/kg (1070mg/kg) BRAIN AND COVERINGS: RECORDINGS FROM SPECIFIC AREAS OF CNS

SENSE ORGANS AND SPECIAL SENSES: PTOSIS: EYE
Archives Internationales de Pharmacodynamie et de Therapie. Vol. 169, Pg. 211, 1967.