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Oxymorphone 3-Beta-D-Glucuronide

CAT: 0572-TRC-O876810-1MGSize: 1 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-O876810-1MGSize:1 mg
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CAS Number
770735-01-8
Synonyms
β-D-Glucopyranosiduronic acid, (5α)-4,5-epoxy-14-hydroxy-17-methyl-6-oxomorphinan-3-yl; (5α)-4,5-Epoxy-14-hydroxy-17-methyl-6-oxomorphinan-3-yl β-D-glucopyranosiduronic acid; Oxymorphone 3-glucuronide; Oxymorphone 3-β-D-Glucuronide
Hazard Statement
Harmful if swallowed
Purity
>95% (HPLC)
Smiles
CN1CC[C@]23[C@H]4Oc5c(O[C@@H]6O[C@@H]([C@@H](O)[C@H](O)[C@H]6O)C(=O)O)ccc(C[C@@H]1[C@]2(O)CCC4=O)c35
Molecular Formula
C23 H27 N O10
Molecular Weight
477.46
InChI
InChI=1S/C23H27NO10/c1-24-7-6-22-13-9-2-3-11(32-21-16(28)14(26)15(27)18(34-21)20(29)30)17(13)33-19(22)10(25)4-5-23(22,31)12(24)8-9/h2-3,12,14-16,18-19,21,26-28,31H,4-8H2,1H3,(H,29,30)/t12-,14+,15+,16-,18+,19+,21-,22+,23-/m1/s1
Additionnal Information
IUPAC name: (2S,3S,4S,5R,6S)-6-[[(4R,4aS,7aR,12bS)-4a-hydroxy-3-methyl-7-oxo-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline-9-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

Oxymorphone 3-glucuronide
CAS Number770735-01-8
PubChem CID91800215
IUPAC Name(2S,3S,4S,5R,6S)-6-[[(4R,4aS,7aR,12bS)-4a-hydroxy-3-methyl-7-oxo-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-9-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
Molecular FormulaC23H27NO10
Molecular Weight477.5
XLogP-3
Topological Polar Surface Area166
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count11
Rotatable Bond Count3
Heavy Atom Count34
Formal Charge0
Complexity886
SMILES
CN1CC[C@]23[C@@H]4C(=O)CC[C@]2([C@H]1CC5=C3C(=C(C=C5)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)C(=O)O)O)O)O)O4)O
InChI
InChI=1S/C23H27NO10/c1-24-7-6-22-13-9-2-3-11(32-21-16(28)14(26)15(27)18(34-21)20(29)30)17(13)33-19(22)10(25)4-5-23(22,31)12(24)8-9/h2-3,12,14-16,18-19,21,26-28,31H,4-8H2,1H3,(H,29,30)/t12-,14+,15+,16-,18+,19+,21-,22+,23-/m1/s1
InChIKey
ILRLBQVIWURYLX-WUDROUKASA-N
Chemical Structure
2D Structure
2D structure of Oxymorphone 3-glucuronide
CAS: 770735-01-8
CID: 91800215
Formula: C23H27NO10
MW: 477.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight477.5
XLogP3-3
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count11
Rotatable Bond Count3
Exact Mass477.16349606
Monoisotopic Mass477.16349606
Topological Polar Surface Area166 Ų
Heavy Atom Count34
Formal Charge0
Complexity886
Isotope Atom Count0
Defined Atom Stereocenter Count9
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
MO10464-01Oxymorphone 3-b-D-glucuronide
CS-T-102398Oxymorphone-d3 3-b-D-Glucuronide
CS-BX-01281Oxymorphone-3-Î2-D-glucuronide
MO10559Oxymorphone 3-b-D-glucuronide-D3
294338-01Oxymorphone 3-b-D-glucuronide discontinued
CS-TB-79169Oxymorphone 3-Beta-D-Glucuronide (1.0mg/ml in Acetonitrile)
294339Oxymorphone 3-b-D-glucuronide-D3 discontinued
439231-016β-Hydroxy Oxymorphone-d4 β-D-Glucuronide discontinued
457053-01N- (3-Butenyl) Oxymorphone Bromide discontinued
AR-T02521-01Tolcapone 3-beta-D-Glucuronide

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