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(Rac) -Carbidopa-d5

CAT: 0804-HY-B0311CS1Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-B0311CS1Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
(Rac) -Carbidopa-d5 is a deuterium labeled compound.
CAS Number
1185134-76-2
UNSPSC
12352005
Hazard Statement
H302, H315, H319, H335
Target
Isotope-Labeled Compounds
Type
Isotope-Labeled Compounds
Related Pathways
Others
Field of Research
Others
Solubility
10 mM in DMSO
Smiles
OC(C=C1C([2H])([2H])C(NN)(C([2H])([2H])[2H])C(O)=O)=C(C=C1)O
Molecular Formula
C10H9D5N2O4
Molecular Weight
231.26
Precautions
H302, H315, H319, H335
References & Citations
[1]Russak EM, et al. Impact of Deuterium Substitution on the Pharmacokinetics of Pharmaceuticals. Ann Pharmacother. 2019 Feb;53 (2) :211-246.
Shipping Conditions
Room Temperature
Storage Conditions
4°C (Powder, protect from light, stored under nitrogen)
Scientific Category
Isotope-Labeled Compounds
Clinical Information
No Development Reported

Chemical Information

D,L-Carbidopa-d5

See also: Carbidopa (annotation moved to); Carbidopa monohydrate (annotation moved to).

CAS Number1185134-76-2
PubChem CID45038549
IUPAC Name3,3,3-trideuterio-2-[dideuterio-(3,4-dihydroxyphenyl)methyl]-2-hydrazinylpropanoic acid
Molecular FormulaC10H14N2O4
Molecular Weight231.26
XLogP-2.2
Topological Polar Surface Area116
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Heavy Atom Count16
Formal Charge0
Complexity261
SMILES
[2H]C([2H])([2H])C(C(=O)O)(C([2H])([2H])C1=CC(=C(C=C1)O)O)NN
InChI
InChI=1S/C10H14N2O4/c1-10(12-11,9(15)16)5-6-2-3-7(13)8(14)4-6/h2-4,12-14H,5,11H2,1H3,(H,15,16)/i1D3,5D2
InChIKey
TZFNLOMSOLWIDK-RPIBLTHZSA-N
Chemical Structure
2D Structure
2D structure of D,L-Carbidopa-d5
CAS: 1185134-76-2
CID: 45038549
Formula: C10H14N2O4
MW: 231.26
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight231.26
XLogP3-2.2
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Exact Mass231.12674066
Monoisotopic Mass231.12674066
Topological Polar Surface Area116 Ų
Heavy Atom Count16
Formal Charge0
Complexity261
Isotope Atom Count5
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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