Basic information
- CAS
37561-27-6- Standard SMILES
O=C(CN1CCN(Cc2ccc3c(c2)OCO3)CC1)N1c2ccccc2Sc2ccccc21- InChIKey
UBAJTZKNDCEGKL-UHFFFAOYSA-N- Molecular formula
- C26H25N3O3S
- Average molar mass
- 459.6 g/mol
- Monoisotopic mass
- 459.16166284
Overview
Fenoverine is a member of phenothiazines.
Names & identifiers
- Preferred name
- Fenoverine
- IUPAC
- 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-1-phenothiazin-10-ylethanone
- English name
- FENOVERINE
- Molecular formula
- C26H25N3O3S
- Molecular weight
- 459.56
Names & synonyms
Fenoverine37561-27-6SpasmoprivFenoverinaFenoverinumDTXSID8046296N274ZQ6PZJ10-((4-Piperonyl-1-piperazinyl)acetyl)phenothiazine10-((4-(1,3-Benzodioxol-5-ylmethyl)-1-piperazinyl)acetyl)-10H-phenothiazineDTXCID602629610-[(4-piperonyl-1-piperazinyl)acetyl]phenothiazine2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-1-(10H-phenothiazin-10-yl)ethan-1-one
Show more names
Fenoverine D83-chloro-3-oxopropanoic acid ethyl ester10-[(4-Piperonyl-1-piperazinyl)acetyl]-10H-phenothiazineEthanone, 2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-1-(10H-phenothiazin-10-yl)-
2-(4-((2H-1,3-benzodioxol-5-yl)methyl)piperazin-1-yl)-1-(10H-phenothiazin-10-yl)ethan-1-oneRefChem:140177A03AX05253-552-12-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-1-phenothiazin-10-ylethanoneFenoverine (INN)NCGC00160678-01FENOVERINE [INN]
Database identifiers
- CAS
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 70.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 666
Experimental & physicochemical properties
DrugsPharmaceuticals -> Listed in ZINC15
Physicochemical properties
- Melting point
- 141 · 141-142°
- Boiling point
- 671.8 · 671.8±55.0 °C(Predicted)
- Density
- 1.343 · 1.343±0.06 g/cm3(Predicted)
- storage temp.
- -20 °C · Hygroscopic, -20°C Freezer, Under inert atmosphere
- solubility
- Chloroform (Slightly), Methanol (Slightly)
- pka
- 6.47 · 6.47±0.10(Predicted)
- form
- Solid
- color
- Pale Beige to Beige
- Stability
- Hygroscopic
- FDA UNII
- 274 ZQ6PZJ · N274ZQ6PZJ
- ATC code
- 3 AX05 · A03AX05
- Toxicity
- 50 in · LD50 in mice (g/kg): ~1.50 orally, ~2.50 i.p. (Buzas, Pierre)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Toxicity
- LD50 in mice (g/kg): ~1.50 orally, ~2.50 i.p. (Buzas, Pierre)
Chemistry & industry
Pharmacology
ATC Code
A - Alimentary tract and metabolism
QA - Alimentary tract and metabolism
MeSH Pharmacological ClassificationAgents that inhibit the actions of the parasympathetic nervous system. The major group of drugs used therapeutically for this purpose is the MUSCARINIC ANTAGONISTS.
Applications
UsesFenoverine is a colon-specific multi particulate drug. Also, it is an antispasmodic drug which inhibits contraction of smooth muscle. It is derived from Phenothiazine (P318040), which is a key component of antipsychotic and antihistaminic drugs.
Upstream & downstream products
Upstream raw materials
Suppliers13 total
中梦研（湖北）科技有限公司0717-6300888 18062399888 · [email protected]
上海冬洋生物科技有限公司0512-13601744364 13601744364 · [email protected]
LGM Pharma1-(800)-881-8210 · [email protected]
PT CHEM GROUP LIMITED+86-85511178; +86-85511178 · [email protected]
上海之坤生物科技有限公司
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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