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Substance Name: 5H-Pyrimido(4,5-b)(1,4)benzothiazin-9(6H)-one, 7,8-dihydro-7,7-dimethyl-4-(4-(phenylmethyl)-1-piperazinyl)-, hydrate
RN: 89513-69-9
InChIKey: HMEHTJQSUONARH-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C23-H27-N5-O-S.H2-O

Molecular Weight

  • 439.5811
 
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Names and Synonyms

  • 5H-Pyrimido(4,5-b)(1,4)benzothiazin-9(6H)-one, 7,8-dihydro-7,7-dimethyl-4-(4-(phenylmethyl)-1-piperazinyl)-, hydrate

Registry Numbers

CAS Registry Number

  • 89513-69-9

System Generated Number

  • 0089513699

Molecular Formulas

Molecular Formula

  • C23-H27-N5-O-S.H2-O

Molecular Formula Fragments

  • C23-H27-N5-O-S
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C23H27N5OS.H2O/c1-15-4-6-16(7-5-15)27-8-10-28(11-9-27)21-19-22(25-14-24-21)30-20-17(26-19)12-23(2,3)13-18(20)29;/h4-7,14,26H,8-13H2,1-3H3;1H2

InChIKey

HMEHTJQSUONARH-UHFFFAOYSA-N

Smiles

O.Cc1ccc(cc1)N2CCN(CC2)c3ncnc4SC5=C(CC(C)(C)CC5=O)Nc34

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 435mg/kg (435mg/kg)   Pharmaceutical Chemistry Journal Vol. 17, Pg. 713, 1983.