Monatepil
Basic information
- CAS
103377-41-9- Standard SMILES
O=C(CCCN1CCN(c2ccc(F)cc2)CC1)NC1c2ccccc2CSc2ccccc21- InChIKey
WFNRNNUZFPVBSM-UHFFFAOYSA-N- Molecular formula
- C28H30FN3OS
- Average molar mass
- 475.6 g/mol
- Monoisotopic mass
- 475.20936192
Overview
Monatepil is a dibenzothiepine.
Names & identifiers
- Preferred name
- Monatepil
- IUPAC
- N-(6,11-dihydrobenzo[c][1]benzothiepin-11-yl)-4-[4-(4-fluorophenyl)piperazin-1-yl]butanamide
- English name
- MONATEPIL
- Molecular formula
- C28H30FN3OS
- Molecular weight
- 475.62
Names & synonyms
Monatepil103377-41-9monatepiloDTXSID3048811N4MMI0J7PWDTXCID60287371-Piperazinebutanamide, N-(6,11-dihydrodibenzo(b,E)thiepin-11-yl)-4-(4-fluorophenyl)monatepilum11-((4-(4-(4-fluorophenyl)-1-piperazinyl)butyryl)amino)-6,11-dihydrodibenzo(b,e)thiepin maleateRefChem:159485(+-)-N-(6,11-DIHYDRODIBENZO(B,E)THIEPIN-11-YL)-4-(P-FLUOROPHENYL)-1-PIPERAZINEBUTYRAMIDE132019-54-6
Show more names
N-(6,11-Dihydrodibenzo[b,e]thiepin-11-yl)-4-(4-(4-fluorophenyl)piperazin-1-yl)butanamideMonatepil [INN]N-(6,11-dihydrobenzo[c][1]benzothiepin-11-yl)-4-[4-(4-fluorophenyl)piperazin-1-yl]butanamideNCGC00183837-01(+/-)-N-(6,11-Dihydrodibenzo(b,E)thiepin-11-yl)-4-(p-fluorophenyl)-1-piperazinebutyramide1-Piperazinebutanamide, N-(6,11-dihydrodibenzo[b,e]thiepin-11-yl)-4-(4-fluorophenyl)-Monatepil [WHO-DD]N-(6,11-Dihydrodibenzo[b,e]thiepin-11-yl)-4-[4-(4-fluorophenyl)piperazin-1-yl]butanamide
Database identifiers
- CAS
103377-41-9- PubChem CID
- 60810
- DTXSID
DTXSID3048811- ChEMBL
CHEMBL172853- ChEBI
CHEBI:177480- UNII
- N4MMI0J7PW
- Nikkaji
- J352.981I
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 60.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 650
Physicochemical properties
- Melting point
- 194 · 194-194.5°
- Boiling point
- 682 · 682.0±55.0 °C(Predicted)
- Density
- 1.28 · 1.28±0.1 g/cm3(Predicted)
- pka
- 14.71 · 14.71±0.20(Predicted)
- FDA UNII
- 4 MMI0J7PW · N4MMI0J7PW
- Comptox DTXSID
- 3048811 · DTXSID3048811
Chemistry & industry
Pharmacology
MeSH Pharmacological Classification
Drugs that bind to but do not activate alpha-adrenergic receptors thereby blocking the actions of endogenous or exogenous adrenergic agonists. Adrenergic alpha-antagonists are used in the treatment of hypertension, vasospasm, peripheral vascular disease, shock, and pheochromocytoma.
Drugs used in the treatment of acute or chronic vascular HYPERTENSION regardless of pharmacological mechanism. Among the antihypertensive agents are DIURETICS; (especially DIURETICS, THIAZIDE); ADRENERGIC BETA-ANTAGONISTS; ADRENERGIC ALPHA-ANTAGONISTS; ANGIOTENSIN-CONVERTING ENZYME INHIBITORS; CALCIUM CHANNEL BLOCKERS; GANGLIONIC BLOCKERS; and VASODILATOR AGENTS.
A class of drugs that act by selective inhibition of calcium influx through cellular membranes.
Applications
UsesN-(6,11-Dihydrodibenzo[b,e]thiepin-11-yl)-4-(4-(4-fluorophenyl)piperazin-1-yl)butanamide (CAS# 103377-41-9) is a useful research chemical compound used in the preparation of cyclopropylaminotriazolopyrimidine derivs. for use as P2Y12 receptor modulators.
Additional notes
DefinitionChEBI: Monatepil is a dibenzothiepine.
Related reactions
4 records
Compound notes
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