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Substance Name: Thiothixene hydrochloride [USAN:USP]
RN: 22189-31-7
UNII: B3CRJ1EWJU
InChIKey: MEUAAEMCZUPORO-LRSHZYOCSA-N

Classification Code

  • Antipsychotic

Molecular Formula

  • C23-H29-N3-O2-S2.2Cl-H.2H2-O

Molecular Weight

  • 552.5845
 

Names and Synonyms

Name of Substance

  • Thiothixene hydrochloride [USAN:USP]

Synonyms

  • 9H-Thioxanthene-2-sulfonamide, N,N-dimethyl-9-(3-(4-methyl-1-piperazinyl)propylidene)-, dihydrochloride, dihydrate (Z)-
  • CP 12252-1
  • CP-12,252-1
  • N,N-Dimethyl-9-(3-(4-methyl-1-piperazinyl)propylidene)thioxanthene-2-sulfonamide dihydrochloride dihydrate
  • Navane
  • Navane Hydrochloride
  • Thiothixene hydrochloride
  • Thiothixene hydrochloride intensol
  • UNII-B3CRJ1EWJU

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 22189-31-7

FDA UNII

  • B3CRJ1EWJU

Other Registry Number

  • 49746-09-0

System Generated Number

  • 0022189317

Molecular Formulas

Molecular Formula

  • C23-H29-N3-O2-S2.2Cl-H.2H2-O

Molecular Formula Fragments

  • C23-H29-N3-O2-S2
  • Cl-H
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C23H29N3O2S2.2ClH.2H2O/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;2*1H2/b19-8-;;;;

InChIKey

MEUAAEMCZUPORO-LRSHZYOCSA-N

Smiles

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

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 3.78 (none)   EXP
Water Solubility 0.764 mg/L 25 EST
Vapor Pressure 2.56E-12 mm Hg 25 EST
Henry's Law Constant 3.70E-16 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 2.92E-10 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.