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5-Hydroxy Rosiglitazone β-D-Glucuronide

CAT: 0024-sc-217200Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0024-sc-217200Size:1 mg
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CAS Number
288853-59-8

Chemical Information

(2S,3S,4S,5R,6S)-6-[[6-[2-[4-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenoxy]ethyl-methylamino]-3-pyridinyl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
CAS Number288853-59-8
PubChem CID71749335
IUPAC Name(2S,3S,4S,5R,6S)-6-[[6-[2-[4-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenoxy]ethyl-methylamino]-3-pyridinyl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
Molecular FormulaC24H27N3O10S
Molecular Weight549.6
XLogP1.2
Topological Polar Surface Area213
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count13
Rotatable Bond Count10
Heavy Atom Count38
Formal Charge0
Complexity844
SMILES
CN(CCOC1=CC=C(C=C1)CC2C(=O)NC(=O)S2)C3=NC=C(C=C3)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O
InChI
InChI=1S/C24H27N3O10S/c1-27(8-9-35-13-4-2-12(3-5-13)10-15-21(31)26-24(34)38-15)16-7-6-14(11-25-16)36-23-19(30)17(28)18(29)20(37-23)22(32)33/h2-7,11,15,17-20,23,28-30H,8-10H2,1H3,(H,32,33)(H,26,31,34)/t15?,17-,18-,19+,20-,23+/m0/s1
InChIKey
QGESYIGEZXWVIN-LXSPYKISSA-N
Chemical Structure
2D Structure
2D structure of (2S,3S,4S,5R,6S)-6-[[6-[2-[4-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenoxy]ethyl-methylamino]-3-pyridinyl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
CAS: 288853-59-8
CID: 71749335
Formula: C24H27N3O10S
MW: 549.6
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight549.6
XLogP31.2
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count13
Rotatable Bond Count10
Exact Mass549.14171524
Monoisotopic Mass549.14171524
Topological Polar Surface Area213 Ų
Heavy Atom Count38
Formal Charge0
Complexity844
Isotope Atom Count0
Defined Atom Stereocenter Count5
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
293660-01(5-Hydroxy rosiglitazone) -b-D-glucuronide
TRC-H953445-10MG5-Hydroxy Rosiglitazone Beta-D-Glucuronide (mixture of diastereomers)
TRC-H953440-10MG5-Hydroxy Rosiglitazone
0144945-Hydroxy Rosiglitazone-d4
TRC-H953450-1MG5-Hydroxy Rosiglitazone Sulfate
CS-T-564535-Hydroxy Rosiglitazone D4
0146095-Hydroxy Tryptophol β-D-Glucuronide
HY-144155S1-015-Hydroxy Rosiglitazone-d4-1
HY-142119S-015-Hydroxy tryptophol β-D-glucuronide-d4
TRC-H952435-50MG5-Hydroxy Propafenone beta-D-Glucuronide

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