Raloxifene 4′-Glucuronide , CAS No.182507-22-8

CAS: 182507-22-8 Cat. No.: R338224 Formula: C34H35NO10S Molecular Weight: 649.71 PubChem CID: 9917566
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Synonyms
HY-135582 | (2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[4-[6-hydroxy-3-[4-(2-piperidin-1-ylethoxy)benzoyl]-1-benzothiophen-2-yl]phenoxy]oxane-2-carboxylic acid | DTXSID601312492 | (2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(4-(6-hydroxy-3-(4-(2-(piperidin-1-yl)ethoxy)b
Storage
Store at -20°C
Shipped In
Ice chest + Ice pads
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Size
Germany (EU)
USA*
Price
Qty
1mg
R338224-1mg
Made to order · 8–12 wks
€424.24
2mg
R338224-2mg
Made to order · 8–12 wks
€786.95
5mg
R338224-5mg
Made to order · 8–12 wks
€1,936.71
10mg
R338224-10mg
Made to order · 8–12 wks
€3,388.43
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Why this grade

for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Store at -20°C Ships Ice chest + Ice pads Check lot-specific COA for exact specifications.

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Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

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Literature proof

Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Overview

Raloxifene 4'-Glucuronide is a metabolite of Raloxifene, a nonsteroidal estrogen receptor mixed agonist/antagonist.

Specifications

Synonyms
HY-135582 | (2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[4-[6-hydroxy-3-[4-(2-piperidin-1-ylethoxy)benzoyl]-1-benzothiophen-2-yl]phenoxy]oxane-2-carboxylic acid | DTXSID601312492 | (2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(4-(6-hydroxy-3-(4-(2-(piperidin-1-yl)ethoxy)b
Storage
Store at -20°C
Shipped In
Ice chest + Ice pads
This product requires cold chain shipping. Ground and other economy services are not available.
Names and Identifiers
Canonical Smiles
C1CCN(CC1)CCOC2=CC=C(C=C2)C(=O)C3=C(SC4=C3C=CC(=C4)O)C5=CC=C(C=C5)OC6C(C(C(C(O6)C(=O)O)O)O)O
IUPAC Name
(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[4-[6-hydroxy-3-[4-(2-piperidin-1-ylethoxy)benzoyl]-1-benzothiophen-2-yl]phenoxy]oxane-2-carboxylic acid
InChIKey
VHXYPEXOSLGZKH-WKRHDJAJSA-N
INCHI
1S/C34H35NO10S/c36-21-8-13-24-25(18-21)46-32(20-6-11-23(12-7-20)44-34-30(40)28(38)29(39)31(45-34)33(41)42)26(24)27(37)19-4-9-22(10-5-19)43-17-16-35-14-2-1-3-15-35/h4-13,18,28-31,34,36,38-40H,1-3,14-17H2,(H,41,42)/t28-,29-,30+,31-,34+/m0/s1
Isomeric SMILES
C1CCN(CC1)CCOC2=CC=C(C=C2)C(=O)C3=C(SC4=C3C=CC(=C4)O)C5=CC=C(C=C5)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)C(=O)O)O)O)O
PubChem CID
9917566
Molecular Weight
649.71

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

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✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

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📊 Datasheet

Quick-reference summary of product specifications and applications.

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🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassOrganic oxygen compounds
ClassOrganooxygen compounds
SubclassCarbohydrates and carbohydrate conjugates
Intermediate Tree Nodes Glycosyl compounds
Direct ParentPhenolic glycosides
Alternative Parents Fatty acyl glycosides of mono- and disaccharides  O-glucuronides  Aryl-phenylketones  3-aroylthiophenes  Alkyl glycosides  O-glycosyl compounds  1-benzothiophenes  Thiophene carboxylic acids and derivatives  Benzoyl derivatives  Phenoxy compounds  Phenol ethers  Alkyl aryl ethers  1-hydroxy-2-unsubstituted benzenoids  Beta hydroxy acids and derivatives  Monosaccharides  Piperidines  Pyrans  Oxanes  Heteroaromatic compounds  Trialkylamines  Secondary alcohols  Amino acids  Monocarboxylic acids and derivatives  Acetals  Polyols  Carboxylic acids  Azacyclic compounds  Oxacyclic compounds  Hydrocarbon derivatives  Organopnictogen compounds  Aldehydes  Organic oxides  
Molecular FrameworkAromatic heteropolycyclic compounds
Substituents Fatty acyl glycoside of mono- or disaccharide - Fatty acyl glycoside - Phenolic glycoside - 1-o-glucuronide - O-glucuronide - Glucuronic acid or derivatives - Aryl-phenylketone - Alkyl glycoside - 3-aroylthiophene - O-glycosyl compound - 1-benzothiophene - Benzothiophene - Benzoyl - Phenoxy compound - Aryl ketone - Phenol ether - Thiophene carboxylic acid or derivatives - Alkyl aryl ether - Beta-hydroxy acid - 1-hydroxy-2-unsubstituted benzenoid - Monocyclic benzene moiety - Monosaccharide - Fatty acyl - Benzenoid - Hydroxy acid - Oxane - Piperidine - Pyran - Heteroaromatic compound - Thiophene - Amino acid - Tertiary aliphatic amine - Ketone - Amino acid or derivatives - Secondary alcohol - Tertiary amine - Acetal - Oxacycle - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Carboxylic acid - Ether - Polyol - Monocarboxylic acid or derivatives - Alcohol - Aldehyde - Organic nitrogen compound - Carbonyl group - Organopnictogen compound - Amine - Organic oxide - Organonitrogen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound
DescriptionThis compound belongs to the class of organic compounds known as phenolic glycosides. These are organic compounds containing a phenolic structure attached to a glycosyl moiety. Some examples of phenolic structures include lignans, and flavonoids. Among the sugar units found in natural glycosides are D-glucose, L-Fructose, and L rhamnose.
External Descriptors Not available
3D Structure
Interactive Chemical Structure Model





Mechanisms of Action
Certificates(CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Chemical and Physical Properties
SolubilitySoluble in DMSO, DMF, Hot Methanol, and water.
Refractive Indexn20D1.68 (Predicted)
Boil Point(°C)949.63° C at 760 mmHg (Predicted)
Melt Point(°C)209-213° C (dec.)
Molecular Weight649.700 g/mol
XLogP32.300
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count12
Rotatable Bond Count10
Exact Mass649.198 Da
Monoisotopic Mass649.198 Da
Topological Polar Surface Area194.000 Ų
Heavy Atom Count46
Formal Charge0
Complexity1010.000
Isotope Atom Count0
Defined Atom Stereocenter Count5
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Solution Calculators
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