Basic information
- CAS
15180-02-6- Standard SMILES
CCn1cc(C(=O)O)c(=O)c2ccc(Cc3ccccc3)nc21- InChIKey
WHHHJDGNBVQNAU-UHFFFAOYSA-N- Molecular formula
- C18H16N2O3
- Average molar mass
- 308.3 g/mol
- Monoisotopic mass
- 308.11609238
Overview
Amfonelic acid is a small molecule drug. Amfonelic acid has a monoisotopic molecular weight of 308.12 Da.
Names & identifiers
- Preferred name
- Amfonelic Acid
- IUPAC
- 7-benzyl-1-ethyl-4-oxo-1,8-naphthyridine-3-carboxylic acid
- English name
- Amfonelic acid
- Molecular formula
- C18H16N2O3
- Molecular weight
- 308.33
Names & synonyms
Amfonelic acid15180-02-6Acido anfonelicoAcide amfoneliqueAcidum amfonelicum7-Benzyl-1-ethyl-1,4-dihydro-4-oxo-1,8-naphthyridine-3-carboxylic acidWin 25,978NSC-100638WIN-25978RR302AR19YDTXSID40164877RefChem:111918
Show more names
NCAAmfonelicCEALAmphonic acidAMFONELIC ACID INCREASES DOPAMINE REAmfonelic Acid/ CAS NO.15180-02-6/99%
DTXCID5087368NSC100638878-363-77-benzyl-1-ethyl-4-oxo-1,4-dihydro-1,8-naphthyridine-3-carboxylic acid7-Benzyl-1-ethyl-4-oxo-1,8-naphthyridine-3-carboxylic acidWin 259781,8-Naphthyridine-3-carboxylic acid, 1-ethyl-1,4-dihydro-4-oxo-7-(phenylmethyl)-CHEMBL35337
Database identifiers
- CAS
15180-02-6- PubChem CID
- 2137
- DTXSID
DTXSID40164877- ChEMBL
CHEMBL35337- UNII
- RR302AR19Y
- EC Number
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 70.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 496
Physicochemical properties
- Melting point
- 1000 °C · >1000 °C
- Boiling point
- 499 ℃ · 499℃
- Density
- 1.297 · 1.297
- Flash point
- 256 ℃ · 256℃
- solubility
- 0.1 M · 0.1 M NaOH: soluble
- form
- powder
- pka
- 3.5 · 3.50±0.20(Predicted)
- color
- yellow
- InChI
- InChI=1S/C18H16N2O3/c1-2-20-11-15(18(22)23)16(21)14-9-8-13(19-17(14)20)10-12-6-4-3-5-7-12/h3-9,11H,2,10H2,1H3,(H,22,23)
- InChIKey
- WHHHJDGNBVQNAU-UHFFFAOYSA-N
- SMILES
- N1(CC)C2C(=CC=C(CC3=CC=CC=C3)N=2)C(=O)C(C(O)=O)=C1
- FDA UNII
- 302 AR19Y · RR302AR19Y
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- wgk
- 3
- hs_code
- 2933.99.8290
- risk_code
- 40-43
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn
- safety_code
- 36/37
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Applications
DescriptionAmfonelic acid, a derivative of nalidixic acid, was originally developed as a central nervous system stimulant. It is a highly potent nonamphetamine stimulant whose actions are inhibited by reserpine but not by the tyrosine hydroxylase inhibitor, a-methyltyrosine. Additionally, it enhances the impacts of antipsychotic medicines such as haloperidol, trifluoperazine, and spiperone.
UsesAmfonelic acid (AFA) is a dopamine reuptake inhibitor, that has marked effects on brain dopamine metabolism but not noradrenaline metabolism. Experiments on rats have shown that AFA treatment completely prevented the effects of methamphetamine on the dopaminergic system, both morphologically and biochemically. Rats are shown to self-administer amfonelic acid in a dose-dependent manner.
Suppliers69 total
Wuhan Godbullraw Chemical Co.,ltd+86-18986288449 · [email protected]
Shandong chuangyingchemical Co., Ltd.18853181302 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
武汉英诺医药科技有限公司+86-027-59232304 15387063101 · [email protected]
陕西缔都化学有限公司029-029-81123119 17391733320 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
Hebei Yanxi Chemical Co., Ltd.+86-17531190177 · [email protected]
Aladdin Scientific[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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