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10Beta-Hydroxyl Dextrorphan 3-O-Beta-D-Glucuronide

CAT: 0572-TRC-D943845-0.5MGSize: 0.5 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-D943845-0.5MGSize:0.5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1399983-86-8
Synonyms
9α,13α,14α)-10β-Hydroxy-17-methylmorphinan-3-yl β-D-Glucopyranosiduronic Acid
Hazard Statement
No Data Available
Smiles
OC1C=2C([C@]34[C@@]([C@]1(N(C)CC3)[H])(CCCC4)[H])=CC(O[C@@H]5O[C@H](C(O)=O)[C@@H](O)[C@H](O)[C@H]5O)=CC2
Molecular Formula
C23H31NO8
Molecular Weight
449.49
InChI
InChI=1S/C23H31NO8/c1-24-9-8-23-7-3-2-4-13(23)15(24)16(25)12-6-5-11(10-14(12)23)31-22-19(28)17(26)18(27)20(32-22)21(29)30/h5-6,10,13,15-20,22,25-28H,2-4,7-9H2,1H3,(H,29,30)/t13-,15-,16?,17+,18+,19-,20+,22-,23+/m1/s1
Additionnal Information
IUPAC name: (2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(((4bS,8aS,9R)-10-hydroxy-11-methyl-6,7,8,8a,9,10-hexahydro-5H-9,4b-(epiminoethano)phenanthren-3-yl)oxy)tetrahydro-2H-pyran-2-carboxylic acid
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

10b-Hydroxyl Dextrorphan 3-O-b-D-Glucuronide
CAS Number1399983-86-8
PubChem CID171380833
IUPAC Name(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[[(1S,9R,10S)-8-hydroxy-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-4-yl]oxy]oxane-2-carboxylic acid
Molecular FormulaC23H31NO8
Molecular Weight449.5
XLogP-1
Topological Polar Surface Area140
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count9
Rotatable Bond Count3
Heavy Atom Count32
Formal Charge0
Complexity722
SMILES
CN1CC[C@@]23CCCC[C@@H]2[C@@H]1C(C4=C3C=C(C=C4)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O)O)O)O
InChI
InChI=1S/C23H31NO8/c1-24-9-8-23-7-3-2-4-13(23)15(24)16(25)12-6-5-11(10-14(12)23)31-22-19(28)17(26)18(27)20(32-22)21(29)30/h5-6,10,13,15-20,22,25-28H,2-4,7-9H2,1H3,(H,29,30)/t13-,15-,16?,17+,18+,19-,20+,22-,23+/m1/s1
InChIKey
YXFSLSBVJROIIG-LDUSAKFRSA-N
Chemical Structure
2D Structure
2D structure of 10b-Hydroxyl Dextrorphan 3-O-b-D-Glucuronide
CAS: 1399983-86-8
CID: 171380833
Formula: C23H31NO8
MW: 449.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight449.5
XLogP3-1
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count9
Rotatable Bond Count3
Exact Mass449.20496695
Monoisotopic Mass449.20496695
Topological Polar Surface Area140 Ų
Heavy Atom Count32
Formal Charge0
Complexity722
Isotope Atom Count0
Defined Atom Stereocenter Count8
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
411738-0110β-Hydroxyl Dextrorphan 3-O-β-D-Glucuronide
411740-0110β-Hydroxyl Dextrorphan 3-O-β-D-Glucuronide Sodium Salt
411728-0110α-Hydroxyl Dextrorphan 3-O-β-D-Glucuronide Sodium Salt
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MD09504-01Dextrorphan O-β-D-glucuronide
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RG-A263338-01Dextrorphan O-Glucuronide
MD09505-01Dextrorphan O-b-D-glucuronide D3
sc-212185N-Desmethyl Dextrorphan β-D-O-Glucuronide
446458Dextrorphan O-β-D- (4-Deoxy-4en) glucuronide

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