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Substance Name: Propanamide, N-(2-(1-methylethoxy)-6-benzothiazolyl)-N-(1-methyl-2-(4-(2-phenylethyl)-1-piperazinyl)ethyl)-, ethanedioate (1:2)
RN: 77563-14-5
InChIKey: VRMFGSIMVLFYFC-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C28-H38-N4-O2-S.2C2-H2-O4

Molecular Weight

  • 674.7678
 
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Names and Synonyms

Synonym

  • 2-Isopropoxy-6-(N-(1-methyl-2-(4-phenethylpiperazino)ethyl)propionamide)benzothiazole 2C2H2O4

Systematic Name

  • Propanamide, N-(2-(1-methylethoxy)-6-benzothiazolyl)-N-(1-methyl-2-(4-(2-phenylethyl)-1-piperazinyl)ethyl)-, ethanedioate (1:2)

Registry Numbers

CAS Registry Number

  • 77563-14-5

System Generated Number

  • 0077563145

Molecular Formulas

Molecular Formula

  • C28-H38-N4-O2-S.2C2-H2-O4

Molecular Formula Fragments

  • C2-H2-O4
  • C28-H38-N4-O2-S
  • COMPONENT

Structure Descriptors

InChI

1S/C28H38N4O2S.2C2H2O4/c1-5-27(33)32(24-11-12-25-26(19-24)35-28(29-25)34-21(2)3)22(4)20-31-17-15-30(16-18-31)14-13-23-9-7-6-8-10-23;2*3-1(4)2(5)6/h6-12,19,21-22H,5,13-18,20H2,1-4H3;2*(H,3,4)(H,5,6)

InChIKey

VRMFGSIMVLFYFC-UHFFFAOYSA-N

Smiles

CCC(=O)N(c1ccc2c(c1)sc(n2)OC(C)C)C(C)CN3CCN(CC3)CCc4ccccc4.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD subcutaneous > 1gm/kg (1000mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) Chemical and Pharmaceutical Bulletin. Vol. 28, Pg. 3315, 1980.