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Substance Name: Benzothiazole, 2-butoxy-6-(1-methyl-2-(4-phenethyl-1-piperazinyl)ethyl)-amino-, oxalate, hydrate (1:2:1)
RN: 77563-10-1
InChIKey: XKLOADGVLRULGI-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C26-H36-N4-O-S.2C2-H2-O4.H2-O

Molecular Weight

  • 632.731
 
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Names and Synonyms

Synonym

  • 6-(1-Methyl-2-(4-phenethylpiperazino)ethyl)-amino-2-n-butoxy-benzothiazole oxalate hydrate

Systematic Name

  • Benzothiazole, 2-butoxy-6-(1-methyl-2-(4-phenethyl-1-piperazinyl)ethyl)-amino-, oxalate, hydrate (1:2:1)

Registry Numbers

CAS Registry Number

  • 77563-10-1

System Generated Number

  • 0077563101

Molecular Formulas

Molecular Formula

  • C26-H36-N4-O-S.2C2-H2-O4.H2-O

Molecular Formula Fragments

  • C2-H2-O4
  • C26-H36-N4-O-S
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C26H36N4OS.2C2H2O4/c1-3-4-18-31-26-28-24-11-10-23(19-25(24)32-26)27-21(2)20-30-16-14-29(15-17-30)13-12-22-8-6-5-7-9-22;2*3-1(4)2(5)6/h5-11,19,21,27H,3-4,12-18,20H2,1-2H3;2*(H,3,4)(H,5,6)

InChIKey

XKLOADGVLRULGI-UHFFFAOYSA-N

Smiles

n1c(sc2c1ccc(c2)N[C@@H](C)CN1CCN(CC1)CCc1ccccc1)OCCCC.C(C(=O)O)(O)=O.C(C(=O)O)(O)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LDLo subcutaneous 1gm/kg (1000mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD Chemical and Pharmaceutical Bulletin. Vol. 28, Pg. 3315, 1980.