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Substance Name: cis-Thiothixene oxide dimaleate
RN: 25616-81-3
InChIKey: NGSFSESIHNXAEX-XRWBZILMSA-N

Molecular Formula

  • C23-H29-N3-O3-S2.2C4-H4-O4

Molecular Weight

  • 691.7753
 
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Names and Synonyms

Results Name

  • cis-Thiothixene oxide dimaleate

Synonym

  • cis-Thiothixene oxide dimaleate

Systematic Name

  • Thioxanthene-2-sulfonamide, N,N-dimethyl-9-(3-(4-methyl-1-piperazinyl)propylidene)-, 10-oxide, dimaleate, (Z)-

Registry Numbers

CAS Registry Number

  • 25616-81-3

System Generated Number

  • 0025616813

Molecular Formulas

Molecular Formula

  • C23-H29-N3-O3-S2.2C4-H4-O4

Molecular Formula Fragments

  • C23-H29-N3-O3-S2
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C23H29N3O3S2.2C4H4O4/c1-24(2)31(28,29)18-10-11-23-21(17-18)19(20-7-4-5-9-22(20)30(23)27)8-6-12-26-15-13-25(3)14-16-26;2*5-3(6)1-2-4(7)8/h4-5,7-11,17H,6,12-16H2,1-3H3;2*1-2H,(H,5,6)(H,7,8)/b19-8+;2*2-1-

InChIKey

NGSFSESIHNXAEX-XRWBZILMSA-N

Smiles

CN1CCN(CC1)CC/C=C\2/c3c(ccc(c3)S(=O)(=O)N(C)C)S(=O)c4c2cccc4.C(=C\C(=O)O)\C(=O)O.C(=C\C(=O)O)\C(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 320mg/kg (320mg/kg)   Journal of Medicinal Chemistry. Vol. 13, Pg. 17, 1970.