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Substance Name: Morpholine, 4-(2,3,4,5-tetrahydro-1-benzothiepin-5-yl)-, maleate (1:1)
RN: 21699-86-5
InChIKey: NVYBEKAKQZPVTJ-BTJKTKAUSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C14-H19-N-O-S.C4-H4-O4

Molecular Weight

  • 365.448
 
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Names and Synonyms

Synonyms

  • 4-(2,3,4,5-Tetrahydro-1-benzothiepin-5-yl)morpholine maleate
  • 5-Morpholino-2,3,4,5-tetrahydro-1-benzothiepine hydrogen maleate

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 21699-86-5

System Generated Number

  • 0021699865

Molecular Formulas

Molecular Formula

  • C14-H19-N-O-S.C4-H4-O4

Molecular Formula Fragments

  • C14-H19-N-O-S
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C14H19NOS.C4H4O4/c1-2-6-14-12(4-1)13(5-3-11-17-14)15-7-9-16-10-8-15;5-3(6)1-2-4(7)8/h1-2,4,6,13H,3,5,7-11H2;1-2H,(H,5,6)(H,7,8)/b;2-1-

InChIKey

NVYBEKAKQZPVTJ-BTJKTKAUSA-N

Smiles

C1CN([C@@H]2CCCSc3ccccc23)CCO1.C(\C=C/C(=O)O)(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 150mg/kg (150mg/kg) VASCULAR: BP LOWERING NOT CHARACTERIZED IN AUTONOMIC SECTION Collection of Czechoslovak Chemical Communications. Vol. 33, Pg. 4315, 1968.