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Substance Name: Thiothixene hydrochloride anhydrous
RN: 49746-04-5
UNII: 2P7AT1AU06
InChIKey: SSRKPUYBAUMQED-INHJUQNSSA-N

Note

  • A thioxanthine used as an antipsychotic agent. Its effects are similar to the phenothiazine antipsychotics.

Molecular Formula

  • C23-H29-N3-O2-S2.2Cl-H

Molecular Weight

  • 516.5549
 
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Names and Synonyms

Name of Substance

  • Thiothixene hydrochloride anhydrous

Synonyms

  • 9H-Thioxanthene-2-sulfonamide, N,N-dimethyl-9-(3-(4-methyl-1-piperazinyl)propylidene)-, dihydrochloride, (Z)-
  • UNII-2P7AT1AU06

Registry Numbers

CAS Registry Number

  • 49746-04-5

FDA UNII

  • 2P7AT1AU06

Other Registry Number

  • 58513-59-0

System Generated Number

  • 0049746045

Molecular Formulas

Molecular Formula

  • C23-H29-N3-O2-S2.2Cl-H

Molecular Formula Fragments

  • C23-H29-N3-O2-S2
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C23H29N3O2S2.2ClH/c1-24(2)30(27,28)18-10-11-23-21(17-18)19(20-7-4-5-9-22(20)29-23)8-6-12-26-15-13-25(3)14-16-26;;/h4-5,7-11,17H,6,12-16H2,1-3H3;2*1H/b19-8-;;

InChIKey

SSRKPUYBAUMQED-INHJUQNSSA-N

Smiles

CN1CCN(CC1)CC/C=C\2/c3ccccc3Sc4c2cc(cc4)S(=O)(=O)N(C)C.Cl.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
human TDLo oral 220ug/kg (0.22mg/kg) BEHAVIORAL: EXCITEMENT Journal of Clinical Pyschopharmacology. Vol. 5, Pg. 120, 1985.
mouse LD50 intraperitoneal 112mg/kg (112mg/kg) LUNGS, THORAX, OR RESPIRATION: DYSPNEA

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

GASTROINTESTINAL: NAUSEA OR VOMITING
Kiso to Rinsho. Clinical Report. Vol. 3, Pg. 709, 1969.
mouse LD50 intravenous 43mg/kg (43mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

LUNGS, THORAX, OR RESPIRATION: DYSPNEA
Kiso to Rinsho. Clinical Report. Vol. 3, Pg. 709, 1969.
mouse LD50 oral 160mg/kg (160mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

LUNGS, THORAX, OR RESPIRATION: DYSPNEA

GASTROINTESTINAL: NAUSEA OR VOMITING
Kiso to Rinsho. Clinical Report. Vol. 3, Pg. 709, 1969.
mouse LD50 subcutaneous 550mg/kg (550mg/kg) LUNGS, THORAX, OR RESPIRATION: DYSPNEA

GASTROINTESTINAL: NAUSEA OR VOMITING

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD
Kiso to Rinsho. Clinical Report. Vol. 3, Pg. 709, 1969.
rat LD50 intraperitoneal 145mg/kg (145mg/kg) GASTROINTESTINAL: NAUSEA OR VOMITING

LUNGS, THORAX, OR RESPIRATION: DYSPNEA

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD
Kiso to Rinsho. Clinical Report. Vol. 3, Pg. 709, 1969.
rat LD50 oral 410mg/kg (410mg/kg) GASTROINTESTINAL: NAUSEA OR VOMITING

LUNGS, THORAX, OR RESPIRATION: DYSPNEA

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD
Kiso to Rinsho. Clinical Report. Vol. 3, Pg. 709, 1969.
rat LD50 subcutaneous > 1537mg/kg (1537mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

LUNGS, THORAX, OR RESPIRATION: DYSPNEA

GASTROINTESTINAL: NAUSEA OR VOMITING
Kiso to Rinsho. Clinical Report. Vol. 3, Pg. 709, 1969.