Basic information
- CAS
3562-99-0- Standard SMILES
COc1ccc(C(=O)CCC(=O)O)c2ccccc12- InChIKey
FHGJSJFIQNQBCK-UHFFFAOYSA-N- Molecular formula
- C15H14O4
- Average molar mass
- 258.27 g/mol
- Monoisotopic mass
- 258.08920892
Overview
Menbutone is a butanone.
Names & identifiers
- Preferred name
- Menbutone
- IUPAC
- 4-(4-methoxynaphthalen-1-yl)-4-oxobutanoic acid
- English name
- Menbutone
- Molecular formula
- C15H14O4
- Molecular weight
- 258.27
Names & synonyms
Menbutone3562-99-0Genabilic acidGenabilin3-(4-Methoxy-1-naphthoyl)propionic acidMethonaphthoneGenabilineMenbutonumSC 1749 (as sodium salt)menbutonaPropionic acid, 3-(4-methoxy-1-naphthoyl)-DTXSID8046240
Show more names
menbutongenabilfel-bisIcterylSC 1749naftobilepanaftol
NSC-53969SC 1749 FREE ACIDSC-1749 FREE ACID1-Naphthalenebutanoic acid, 4-methoxy-gamma-oxo-SC 1749 [as sodium salt]341YM32546DTXCID6026240RefChem:156482
Database identifiers
- CAS
3562-99-0- PubChem CID
- 71818
- DTXSID
DTXSID8046240- ChEMBL
CHEMBL1972268- ChEBI
CHEBI:135064- UNII
- 341YM32546
- Nikkaji
- J8.141H
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 63.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 339
Physicochemical properties
- Melting point
- 172 · 172-173°
- Boiling point
- 361.52 °C · 361.52°C (rough estimate)
- Density
- 1.2105 · 1.2105 (rough estimate)
- refractive index
- 1.4872 · 1.4872 (estimate)
- storage temp.
- Sealed in dry,Room Temperature
- solubility
- DMSO (Slightly), Methanol (Slightly, Sonicated), Ethanol (Slightly, Heated)
- form
- Solid
- pka
- 4.44 · 4.44±0.17(Predicted)
- color
- White to Off-White
- InChI
- InChI=1S/C15H14O4/c1-19-14-8-6-11(13(16)7-9-15(17)18)10-4-2-3-5-12(10)14/h2-6,8H,7,9H2,1H3,(H,17,18)
- InChIKey
- FHGJSJFIQNQBCK-UHFFFAOYSA-N
- SMILES
- C12C=CC=CC1=C(OC)C=CC=2C(=O)CCC(=O)O
- FDA UNII
- 341 YM32546 · 341YM32546
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Pharmacology
ATC CodeQA - Alimentary tract and metabolism
Applications
UsesMenbutone is a cholerectic compound which is used for stimulating gastro-intestinal function by promoting secretory processes in animals including that of cattle, sheep, goats, horses and dogs. It is used in treatment of hepatic dysfunction of dogs by promoting bile secretion.
Upstream & downstream products
Upstream raw materials
Suppliers100 total
苏州道澜生物医药科技有限公司15952404857 · [email protected]
湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
Shandong chuangyingchemical Co., Ltd.18853181302 · [email protected]
陕西缔都新材料有限公司81124267 17392282731 · [email protected]
Career Henan Chemica Co
Related reactions
2 records
Compound notes
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