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Substance Name: Phenothiazine, 2-tert-butyl-10-(3-dimethylaminopropyl)-, 5-oxide, monooxalate salt
RN: 63834-16-2
InChIKey: ZKTKQRWCSDLHPJ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H28-N2-O-S.C2-H2-O4

Molecular Weight

  • 446.565
 
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Names and Synonyms

Synonyms

  • 2-tert-Butyl-10-(3-dimethylaminopropyl)phenothiazine-5-oxide monooxalate salt
  • Phenothiazine-5-oxide, 2-tert-butyl-10-(3-dimethylaminopropyl)-, monooxalate

Systematic Name

  • Phenothiazine, 2-tert-butyl-10-(3-dimethylaminopropyl)-, 5-oxide, monooxalate salt

Registry Numbers

CAS Registry Number

  • 63834-16-2

System Generated Number

  • 0063834162

Molecular Formulas

Molecular Formula

  • C21-H28-N2-O-S.C2-H2-O4

Molecular Formula Fragments

  • C2-H2-O4
  • C21-H28-N2-O-S
  • COMPONENT

Structure Descriptors

InChI

1S/C21H28N2OS.C2H2O4/c1-21(2,3)16-11-12-20-18(15-16)23(14-8-13-22(4)5)17-9-6-7-10-19(17)25(20)24;3-1(4)2(5)6/h6-7,9-12,15H,8,13-14H2,1-5H3;(H,3,4)(H,5,6)

InChIKey

ZKTKQRWCSDLHPJ-UHFFFAOYSA-N

Smiles

c12[S@@](c3c(N(c1cc(cc2)C(C)(C)C)CCCN(C)C)cccc3)=O.C(C(=O)O)(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 unreported 120mg/kg (120mg/kg)   Journal of Medicinal and Pharmaceutical Chemistry. Vol. 5, Pg. 54, 1962.