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Substance Name: (1)Benzothiepino(2,3-b)pyridine, 5,6-dihydro-8-(1-methylethyl)-6-(4-methyl-1-piperazinyl)-, (Z)-2-butenedioate (1:2)
RN: 51724-05-1
InChIKey: MLMVRFPUEKGWGD-SPIKMXEPSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H27-N3-S.2C4-H4-O4

Molecular Weight

  • 585.674
 
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Names and Synonyms

Synonym

  • 6-(4-Methylpiperazino)-8-isopropyl-5,6-dihydrobenzo(b)pyrido(3,2-f)thiepin dimaleate

Systematic Name

  • (1)Benzothiepino(2,3-b)pyridine, 5,6-dihydro-8-(1-methylethyl)-6-(4-methyl-1-piperazinyl)-, (Z)-2-butenedioate (1:2)

Registry Numbers

CAS Registry Number

  • 51724-05-1

System Generated Number

  • 0051724051

Molecular Formulas

Molecular Formula

  • C21-H27-N3-S.2C4-H4-O4

Molecular Formula Fragments

  • C21-H27-N3-S
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C21H27N3S.2C4H4O4/c1-15(2)16-6-7-20-18(13-16)19(24-11-9-23(3)10-12-24)14-17-5-4-8-22-21(17)25-20;2*5-3(6)1-2-4(7)8/h4-8,13,15,19H,9-12,14H2,1-3H3;2*1-2H,(H,5,6)(H,7,8)/b;2*2-1-

InChIKey

MLMVRFPUEKGWGD-SPIKMXEPSA-N

Smiles

c12[C@@H](N3CCN(CC3)C)Cc3c(Sc1ccc(c2)C(C)C)nccc3.C(\C=C/C(=O)O)(O)=O.C(\C=C/C(=O)O)(O)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 398mg/kg (398mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) Collection of Czechoslovak Chemical Communications. Vol. 38, Pg. 2778, 1973.