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N-Desmethyl Dextrorphan Beta-D-O-Glucuronide

CAT: 0572-TRC-D291600-1MGSize: 1 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-D291600-1MGSize:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
19153-89-0
Synonyms
(9α,13α,14α)-Morphinan-3-yl β-D-Glucopyranosiduronic Acid;
Hazard Statement
Harmful if swallowed.
Smiles
C1CCC23CCNC(C2C1)CC4=C3C=C(C=C4)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O)O)O
Molecular Formula
C22H29NO7
Molecular Weight
419.47
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

N-Desmethyl Dextrorphan |A-D-O-Glucuronide
CAS Number19153-89-0
PubChem CID71315730
IUPAC Name(2S,3S,4S,5R,6S)-6-(17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-4-yloxy)-3,4,5-trihydroxyoxane-2-carboxylic acid
Molecular FormulaC22H29NO7
Molecular Weight419.5
XLogP-0.4
Topological Polar Surface Area128
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count8
Rotatable Bond Count3
Heavy Atom Count30
Formal Charge0
Complexity661
SMILES
C1CCC23CCNC(C2C1)CC4=C3C=C(C=C4)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O)O)O
InChI
InChI=1S/C22H29NO7/c24-16-17(25)19(20(27)28)30-21(18(16)26)29-12-5-4-11-9-15-13-3-1-2-6-22(13,7-8-23-15)14(11)10-12/h4-5,10,13,15-19,21,23-26H,1-3,6-9H2,(H,27,28)/t13?,15?,16-,17-,18+,19-,21+,22?/m0/s1
InChIKey
QYVMECDBFFRIEZ-JJYOAAGWSA-N
Chemical Structure
2D Structure
2D structure of N-Desmethyl Dextrorphan |A-D-O-Glucuronide
CAS: 19153-89-0
CID: 71315730
Formula: C22H29NO7
MW: 419.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight419.5
XLogP3-0.4
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count8
Rotatable Bond Count3
Exact Mass419.19440226
Monoisotopic Mass419.19440226
Topological Polar Surface Area128 Ų
Heavy Atom Count30
Formal Charge0
Complexity661
Isotope Atom Count0
Defined Atom Stereocenter Count5
Undefined Atom Stereocenter Count3
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
CS-T-52218N-Desmethyl Dextrorphan-beta-D-O-Glucuronide
sc-212185N-Desmethyl Dextrorphan β-D-O-Glucuronide
sc-219118N-Desmethyl Dextrorphan-d3 β-D-O-Glucuronide
sc-219058N-Benzyloxycarbonyl N-Desmethyl Dextrorphan-d3 β-D-O-Glucuronide
sc-219056N-Benzyloxycarbonyl N-Desmethyl Dextrorphan 2,3,4-Tri-O-acetyl-β-D-O-glucuronic Acid Methyl Ester
sc-224129N-Benzyloxycarbonyl N-Desmethyl Dextrorphan-d3 2,3,4-Tri-O-acetyl-β-D-O-Glucuronic Acid Methyl Ester
MD09504-01Dextrorphan O-β-D-glucuronide
RG-A263338-01Dextrorphan O-Glucuronide
CS-T-52241O-Desmethyl Galanthamine-beta-D-Glucuronide
CS-T-52209Desmethyl Cerivastatin-O-beta-D-glucuronide

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