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Substance Name: Phenothiazine, 2-tert-butyl-10-(3-dimethylaminopropyl)-, N,5-dioxide, dihydrate
RN: 63834-07-1
InChIKey: UPCGRNOLIKUHRT-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H28-N2-O2-S.2H2-O

Molecular Weight

  • 408.56
 
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Names and Synonyms

Synonym

  • 2-tert-Butyl-10-(3-dimethylaminopropyl)phenothiazine-N,5-dioxide dihydrate

Systematic Name

  • Phenothiazine, 2-tert-butyl-10-(3-dimethylaminopropyl)-, N,5-dioxide, dihydrate

Registry Numbers

CAS Registry Number

  • 63834-07-1

System Generated Number

  • 0063834071

Molecular Formulas

Molecular Formula

  • C21-H28-N2-O2-S.2H2-O

Molecular Formula Fragments

  • C21-H28-N2-O2-S
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C21H28N2O2S.2H2O/c1-21(2,3)16-11-12-20-18(15-16)23(24,14-8-13-22(4)5)17-9-6-7-10-19(17)26(20)25;;/h6-7,9-12,15H,8,13-14H2,1-5H3;2*1H2

InChIKey

UPCGRNOLIKUHRT-UHFFFAOYSA-N

Smiles

c12[N@@](c3c([S@@](=O)c1ccc(c2)C(C)(C)C)cccc3)(=O)CCCN(C)C.O.O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 unreported 85mg/kg (85mg/kg)   Journal of Medicinal and Pharmaceutical Chemistry. Vol. 5, Pg. 54, 1962.