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Substance Name: Monatepil
RN: 103379-03-9
UNII: W456I35SKD
InChIKey: ZDZXCYHMVFLGMT-BTJKTKAUSA-N

Molecular Formula

  • C28-H30-F-N3-O-S.C4-H4-O4

Molecular Weight

  • 591.701
 

Classification Codes

  • Adrenergic Agents
  • Adrenergic alpha-Antagonists
  • Adrenergic Antagonists
  • Antihypertensive Agents
  • Calcium Channel Blockers
  • Cardiovascular Agents
  • Drug / Therapeutic Agent
  • Membrane Transport Modulators
  • Neurotransmitter Agents
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Names and Synonyms

Name of Substance

  • Monatepil

Synonyms

  • 11-(4-(4-(4-Fluorophenyl)-1-piperazinyl)butyrylamino)-6,11-dihydrodibenzo(b,e)thiepin maleate
  • UNII-W456I35SKD

Systematic Name

  • 1-Piperazinebutanamide, N-(6,11-dihydrodibenzo(b,e)thiepin-11-yl)-4-(4-fluorophenyl)-, (Z)-2-butenedioate (1:1)

Registry Numbers

CAS Registry Number

  • 103379-03-9

FDA UNII

  • W456I35SKD

System Generated Number

  • 0103379039

Molecular Formulas

Molecular Formula

  • C28-H30-F-N3-O-S.C4-H4-O4

Molecular Formula Fragments

  • C28-H30-F-N3-O-S
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

InChI=1S/C28H30FN3OS.C4H4O4/c29-22-11-13-23(14-12-22)32-18-16-31(17-19-32)15-5-10-27(33)30-28-24-7-2-1-6-21(24)20-34-26-9-4-3-8-25(26)28;5-3(6)1-2-4(7)8/h1-4,6-9,11-14,28H,5,10,15-20H2,(H,30,33);1-2H,(H,5,6)(H,7,8)/b;2-1-

InChIKey

ZDZXCYHMVFLGMT-BTJKTKAUSA-N

Smiles

OC(=O)\C=C/C(=O)O.Fc1ccc(cc1)N2CCN(CCCC(=O)NC3c4ccccc4CSc5ccccc35)CC2

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal > 1gm/kg (1000mg/kg)   United States Patent Document. Vol. #4749703,
mouse LD50 oral > 4gm/kg (4000mg/kg)   United States Patent Document. Vol. #4749703,