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EIDD-1931-d2

CAT: 0804-HY-125033S1-02Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-125033S1-02Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
EIDD-1931-d2 is the deuterium labeled 3,6-Dichloro-2-methoxybenzoic acid[1].
CAS Number
1955549-12-8
Product Name Alternative
β-D-N4-hydroxycytidine-d2; NHC-d2
UNSPSC
12352005
Target
Enterovirus; HCV; Isotope-Labeled Compounds; SARS-CoV; Topoisomerase
Type
Isotope-Labeled Compounds
Related Pathways
Anti-infection; Cell Cycle/DNA Damage; Others
Field of Research
Others
Solubility
10 mM in DMSO
Smiles
O[C@H]1[C@@](N2C(N/C(C=C2)=N/O)=O)([H])O[C@@H]([C@H]1O)C([2H])([2H])O
Molecular Formula
C9H11D2N3O6
Molecular Weight
261.23
References & Citations
[1]Russak EM, et al. Impact of Deuterium Substitution on the Pharmacokinetics of Pharmaceuticals. Ann Pharmacother. 2019;53 (2) :211-223.
Shipping Conditions
Room temperature
Scientific Category
Isotope-Labeled Compounds
Clinical Information
No Development Reported

Chemical Information

EIDD-1931-d2
CAS Number1955549-12-8
PubChem CID163408765
IUPAC Name1-[(2R,3R,4S,5R)-5-[dideuterio(hydroxy)methyl]-3,4-dihydroxyoxolan-2-yl]-4-(hydroxyamino)pyrimidin-2-one
Molecular FormulaC9H13N3O6
Molecular Weight261.23
XLogP-2.2
Topological Polar Surface Area135
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Heavy Atom Count18
Formal Charge0
Complexity398
SMILES
[2H]C([2H])([C@@H]1[C@H]([C@H]([C@@H](O1)N2C=CC(=NC2=O)NO)O)O)O
InChI
InChI=1S/C9H13N3O6/c13-3-4-6(14)7(15)8(18-4)12-2-1-5(11-17)10-9(12)16/h1-2,4,6-8,13-15,17H,3H2,(H,10,11,16)/t4-,6-,7-,8-/m1/s1/i3D2
InChIKey
XCUAIINAJCDIPM-APTDQHSTSA-N
Chemical Structure
2D Structure
2D structure of EIDD-1931-d2
CAS: 1955549-12-8
CID: 163408765
Formula: C9H13N3O6
MW: 261.23
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight261.23
XLogP3-2.2
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Exact Mass261.09298863
Monoisotopic Mass261.09298863
Topological Polar Surface Area135 Ų
Heavy Atom Count18
Formal Charge0
Complexity398
Isotope Atom Count2
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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MBS3846528-01EIDD-1931
TRC-E985800-1GEidd 1931
A16510-25EIDD-1931 25mg
A16510-5EIDD-1931 5mg
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A16510-500EIDD-1931 500mg
A16510-100EIDD-1931 100mg
A16510-50EIDD-1931 50mg
A16510-1EIDD-1931 1mg
A16510-10EIDD-1931 10mg

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