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Desmethyl ranolazine β-D-glucuronide

CAT: 0804-HY-W700345Size: 1 EachDry Ice: NoHazardous: No
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Description
Desmethyl ranolazine β-D-glucuronide is a class of biochemical reagents used in glycobiology research. Glycobiology studies the structure, synthesis, biology and evolution of sugars. It involves carbohydrate chemistry, enzymology of glycan formation and degradation, protein-Glycan recognition and the role of glycans in biological systems. This field is closely related to basic research, biomedicine and biotechnology.
CAS Number
172300-93-5
UNSPSC
12352200
Target
Biochemical Assay Reagents
Type
Biochemical Assay Reagents
Related Pathways
Others
Field of Research
Others
Assay Protocol
https://www.medchemexpress.com/desmethyl-ranolazine-β-d-glucuronide.html
Smiles
CC(C=CC=C1C)=C1NC(CN(CC2)CCN2CC(O)COC(C=CC=C3)=C3O[C@@H]4O[C@@H]([C@H]([C@@H]([C@H]4O)O)O)C(O)=O)=O
Molecular Formula
C29H39N3O10
Molecular Weight
589.63
References & Citations
[1]Varki A, et al editors. Essentials of Glycobiology [Internet]. 4th ed. Cold Spring Harbor (NY) : Cold Spring Harbor Laboratory Press; 2022.
Shipping Conditions
Room temperature
Scientific Category
Biochemical Assay Reagents
Clinical Information
No Development Reported

Chemical Information

CID 71776937
CAS Number172300-93-5
PubChem CID71776937
IUPAC Name(2S,3S,4S,5R)-6-[2-[3-[4-[2-(2,6-dimethylanilino)-2-oxoethyl]piperazin-1-yl]-2-hydroxypropoxy]phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
Molecular FormulaC29H39N3O10
Molecular Weight589.6
XLogP-1.4
Topological Polar Surface Area181
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count12
Rotatable Bond Count11
Heavy Atom Count42
Formal Charge0
Complexity865
SMILES
CC1=C(C(=CC=C1)C)NC(=O)CN2CCN(CC2)CC(COC3=CC=CC=C3OC4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O)O
InChI
InChI=1S/C29H39N3O10/c1-17-6-5-7-18(2)23(17)30-22(34)15-32-12-10-31(11-13-32)14-19(33)16-40-20-8-3-4-9-21(20)41-29-26(37)24(35)25(36)27(42-29)28(38)39/h3-9,19,24-27,29,33,35-37H,10-16H2,1-2H3,(H,30,34)(H,38,39)/t19?,24-,25-,26+,27-,29?/m0/s1
InChIKey
YLNYEZQRRIKMQF-OWECDQGASA-N
Chemical Structure
2D Structure
2D structure of CID 71776937
CAS: 172300-93-5
CID: 71776937
Formula: C29H39N3O10
MW: 589.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight589.6
XLogP3-1.4
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count12
Rotatable Bond Count11
Exact Mass589.26354445
Monoisotopic Mass589.26354445
Topological Polar Surface Area181 Ų
Heavy Atom Count42
Formal Charge0
Complexity865
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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