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Resorufin-d6

CAT: 0804-HY-123533SSize: 1 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-123533SSize:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Resorufin-d6 is the deuterium labeled Resorufin. Resorufin (NSC 12097) is a highly fluorescent pink dye for the detection of ROS/RNS and a second analyte[1].
CAS Number
1196157-65-9
Product Name Alternative
NSC 12097-d6
UNSPSC
12352005
Hazard Statement
H315, H319, H335
Target
Reactive Oxygen Species (ROS)
Type
Isotope-Labeled Compounds
Related Pathways
Immunology/Inflammation; Metabolic Enzyme/Protease; NF-κB
Field of Research
Others
Purity
97.34
Solubility
0.5 M NaOH : 5 mg/mL (ultrasonic; warming; adjust pH to 12 with NaOH)
Smiles
O=C1C([2H])=C2C(C([2H])=C1[2H])=NC3=C([2H])C([2H])=C(O)C([2H])=C3O2
Molecular Formula
C12HD6NO3
Molecular Weight
219.23
Precautions
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. |[2]Odyniec ML , et al. 'AND'-based fluorescence scaffold for the detection of ROS/RNS and a second analyte. Chem Commun (Camb) . 2018 Jul 26;54 (61) :8466-8469.
Shipping Conditions
Room Temperature
Storage Conditions
4°C (Powder, sealed storage, away from moisture and light)
Scientific Category
Isotope-Labeled Compounds
Clinical Information
No Development Reported

Chemical Information

7-Hydroxy(~2~H_6_)-3H-phenoxazin-3-one
CAS Number1196157-65-9
PubChem CID53442254
IUPAC Name1,2,4,6,8,9-hexadeuterio-7-hydroxyphenoxazin-3-one
Molecular FormulaC12H7NO3
Molecular Weight219.22
XLogP1.1
Topological Polar Surface Area58.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count0
Heavy Atom Count16
Formal Charge0
Complexity422
SMILES
[2H]C1=C(C(=C(C2=C1N=C3C(=C(C(=O)C(=C3O2)[2H])[2H])[2H])[2H])O)[2H]
InChI
InChI=1S/C12H7NO3/c14-7-1-3-9-11(5-7)16-12-6-8(15)2-4-10(12)13-9/h1-6,14H/i1D,2D,3D,4D,5D,6D
InChIKey
HSSLDCABUXLXKM-MZWXYZOWSA-N
Chemical Structure
2D Structure
2D structure of 7-Hydroxy(~2~H_6_)-3H-phenoxazin-3-one
CAS: 1196157-65-9
CID: 53442254
Formula: C12H7NO3
MW: 219.22
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight219.22
XLogP31.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count0
Exact Mass219.080253561
Monoisotopic Mass219.080253561
Topological Polar Surface Area58.9 Ų
Heavy Atom Count16
Formal Charge0
Complexity422
Isotope Atom Count6
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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