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Substance Name: Piperidine, 1-(2,3,4,5-tetrahydro-1-benzothiepin-5-yl)-, maleate (1:1)
RN: 21699-85-4
InChIKey: UXLJUQKZLCQCRS-BTJKTKAUSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C15-H21-N-S.C4-H4-O4

Molecular Weight

  • 363.475
 
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Names and Synonyms

Synonym

  • 1-(2,3,4,5-Tetrahydro-1-benzothiepin-5-yl)piperidine maleate

Systematic Name

  • Piperidine, 1-(2,3,4,5-tetrahydro-1-benzothiepin-5-yl)-, maleate (1:1)

Registry Numbers

CAS Registry Number

  • 21699-85-4

System Generated Number

  • 0021699854

Molecular Formulas

Molecular Formula

  • C15-H21-N-S.C4-H4-O4

Molecular Formula Fragments

  • C15-H21-N-S
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C15H21NS.C4H4O4/c1-4-10-16(11-5-1)14-8-6-12-17-15-9-3-2-7-13(14)15;5-3(6)1-2-4(7)8/h2-3,7,9,14H,1,4-6,8,10-12H2;1-2H,(H,5,6)(H,7,8)/b;2-1-

InChIKey

UXLJUQKZLCQCRS-BTJKTKAUSA-N

Smiles

N1([C@@H]2CCCSc3ccccc23)CCCCC1.C(\C=C/C(=O)O)(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 40mg/kg (40mg/kg)   Collection of Czechoslovak Chemical Communications. Vol. 33, Pg. 4315, 1968.