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NPEC-caged-dopamine

CAT: 0013-GTR19201055-03Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19201055-03Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
This small molecule is a dopamine receptor agonist designed for research use. It is a valuable tool for investigating dopaminergic signaling pathways in both in vitro and in vivo models, relevant to studies in neuroscience, psychiatry, and pharmacology.
CAS Number
1257326-23-0
Field of Research
Neuroscience, Pharmacology & Drug Discovery
Smiles
C (OC (NCCC1=CC (O) =C (O) C=C1) =O) (C) C2=C (N (=O) =O) C=CC=C2
Molecular Formula
C17H18N2O6
Molecular Weight
346.33
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

NPEC-caged-dopamine
CAS Number1257326-23-0
PubChem CID90488901
IUPAC Name1-(2-nitrophenyl)ethyl N-[2-(3,4-dihydroxyphenyl)ethyl]carbamate
Molecular FormulaC17H18N2O6
Molecular Weight346.3
XLogP2.9
Topological Polar Surface Area125
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Heavy Atom Count25
Formal Charge0
Complexity455
SMILES
CC(C1=CC=CC=C1[N+](=O)[O-])OC(=O)NCCC2=CC(=C(C=C2)O)O
InChI
InChI=1S/C17H18N2O6/c1-11(13-4-2-3-5-14(13)19(23)24)25-17(22)18-9-8-12-6-7-15(20)16(21)10-12/h2-7,10-11,20-21H,8-9H2,1H3,(H,18,22)
InChIKey
PDNNZLULXSQJGZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of NPEC-caged-dopamine
CAS: 1257326-23-0
CID: 90488901
Formula: C17H18N2O6
MW: 346.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight346.3
XLogP32.9
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Exact Mass346.11648630
Monoisotopic Mass346.11648630
Topological Polar Surface Area125 Ų
Heavy Atom Count25
Formal Charge0
Complexity455
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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