Amfonelic Acid

CAT: 0931-T23718-03Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0931-T23718-03Size:100 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

15180-02-6

Target

Others

Related Pathways

Others

Bioactivity

Amfonelic Acid is a dopamine uptake blocker.

Smiles

CCn1cc(C(O)=O)c(=O)c2ccc(Cc3ccccc3)nc12

Molecular Formula

C18H16N2O3

Molecular Weight

308.33

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

Amfonelic Acid

Amfonelic acid is a small molecule drug. Amfonelic acid has a monoisotopic molecular weight of 308.12 Da.

CAS Number	15180-02-6
PubChem CID	2137
IUPAC Name	7-benzyl-1-ethyl-4-oxo-1,8-naphthyridine-3-carboxylic acid
Molecular Formula	C18H16N2O3
Molecular Weight	308.3
XLogP	3
Topological Polar Surface Area	70.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	4
Heavy Atom Count	23
Formal Charge	0
Complexity	496

SMILES

CCN1C=C(C(=O)C2=C1N=C(C=C2)CC3=CC=CC=C3)C(=O)O

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

Chemical Structure

2D Structure

CAS: 15180-02-6

CID: 2137

Formula: C18H16N2O3

MW: 308.3

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	308.3
XLogP3	3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	4
Exact Mass	308.11609238
Monoisotopic Mass	308.11609238
Topological Polar Surface Area	70.5 Å²
Heavy Atom Count	23
Formal Charge	0
Complexity	496
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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Catalog	Name
527833	Amfonelic Acid
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L2500-01	Lipoic Acid (Thioctic Acid, (±) -α-Lipoic Acid)
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Amfonelic Acid

Chemical Information

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