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Dopamine-13C6 (hydrochloride)

CAT: 0804-HY-B0451AS1-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-B0451AS1-01Size:1 mg
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Description
Dopamine-13C6 (hydrochloride) is the 13C labeled Dopamine hydrochloride (ASL279) [1].
CAS Number
335080-94-9
Product Name Alternative
ASL279-13C6
UNSPSC
12352005
Hazard Statement
H302, H315, H319, H335
Target
Isotope-Labeled Compounds
Type
Isotope-Labeled Compounds
Related Pathways
Others
Field of Research
Others
Assay Protocol
https://www.medchemexpress.com/dopamine-13c6-hydrochloride.html
Purity
98.71
Solubility
10 mM in DMSO
Smiles
NCC[13C]1=[13CH][13C](O)=[13C]([13CH]=[13CH]1)O.[H]Cl
Molecular Formula
C2 13C6H12ClNO2
Molecular Weight
195.60
Precautions
H302, H315, H319, H335
References & Citations
[1]Russak EM, et al. Impact of Deuterium Substitution on the Pharmacokinetics of Pharmaceuticals. Ann Pharmacother. 2019;53 (2) :211-216.
Shipping Conditions
Blue Ice
Storage Conditions
-20°C (Powder, sealed storage, away from moisture)
Scientific Category
Isotope-Labeled Compounds
Clinical Information
No Development Reported

Chemical Information

2-(3,4-Dihydroxyphenyl-13C6)ethylamine hcl
CAS Number335080-94-9
PubChem CID102601069
IUPAC Name4-(2-aminoethyl)(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-triene-1,2-diol;hydrochloride
Molecular FormulaC8H12ClNO2
Molecular Weight195.59
Topological Polar Surface Area66.5
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count12
Formal Charge0
Complexity119
SMILES
[13CH]1=[13CH][13C](=[13C]([13CH]=[13C]1CCN)O)O.Cl
InChI
InChI=1S/C8H11NO2.ClH/c9-4-3-6-1-2-7(10)8(11)5-6;/h1-2,5,10-11H,3-4,9H2;1H/i1+1,2+1,5+1,6+1,7+1,8+1;
InChIKey
CTENFNNZBMHDDG-HHULZBBASA-N
Chemical Structure
2D Structure
2D structure of 2-(3,4-Dihydroxyphenyl-13C6)ethylamine hcl
CAS: 335080-94-9
CID: 102601069
Formula: C8H12ClNO2
MW: 195.59
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight195.59
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass195.0757853
Monoisotopic Mass195.0757853
Topological Polar Surface Area66.5 Ų
Heavy Atom Count12
Formal Charge0
Complexity119
Isotope Atom Count6
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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