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

CAS: 182507-22-8 Cat. No.: R338224 분자식: C34H35NO10S 분자량: 649.71 PubChem CID: 9917566
주문 가능
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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1mg
R338224-1mg
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2mg
R338224-2mg
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US$906.90
5mg
R338224-5mg
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10mg
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보관 및 배송

Store at -20°C Ice chest + Ice pads 출고. 정확한 사양은 로트별 COA를 확인하세요.

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품질 문서

SDS, COA, 데이터시트, 사양서를 다운로드할 수 있습니다. 로트별 COA는 로트 번호 조회를 통해 확인할 수 있습니다.

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문헌적 근거

크로마토그래피, 유기 합성 및 교차 커플링 반응 분야의 동료 심사 논문 0편에서 인용되었습니다.

개요

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

사양

동의어
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
보관 조건
Store at -20°C
배송
Ice chest + Ice pads
이 제품은 콜드 체인 배송이 필요합니다.지상 및 기타 경제 서비스는 사용할 수 없습니다.
이름과 식별자
정식 스마일
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
이성체 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
분자량
649.71

문서

📋 안전 데이터 시트(SDS)

위험성, 취급, 보관 및 규제 준수를 포괄하는 종합 문서.

<<<<<<< HEAD SDS 다운로드 → ======= SDS 다운로드 → >>>>>>> release248-p3

✅ 분석 성적서(COA)

로트별 품질 데이터. 로트 번호를 입력하여 정확한 COA를 확인하세요.

COA 조회 →

📊 데이터시트

제품 사양 및 응용 분야에 대한 빠른 참조 요약.

데이터시트 보기 →

🔬 사양서

이 등급의 전체 품질 특성 및 합격 기준.

사양서 보기 →

고급 데이터

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassOrganic oxygen compounds
분류Organooxygen 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
설명This 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 구조
상호 작용 화학 구조 모델





작용 메커니즘
인증서(CoA, COO, BSE/TSE 및 분석 차트)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
화학 및 물리적 특성
용해성Soluble in DMSO, DMF, Hot Methanol, and water.
굴절률n20D1.68 (Predicted)
끓는점(°C)949.63° C at 760 mmHg (Predicted)
녹는점(°C)209-213° C (dec.)
분자량649.700 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
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