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SKF 83822 hydrobromide - ≥98%(HPLC) , CAS No.74115-10-9

SKF 83822 hydrobromide - ≥98%(HPLC) , CAS No.74115-10-9

Name: SKF 83822 hydrobromide - ≥98%(HPLC) , CAS No.74115-10-9
SKU: S288078
Availability: InStock

CAS: 74115-10-9 Cat. No.: S288078 분자식: C₂₀H₂₂ClNO₂•HBr 분자량: 424.76 EC 번호: 804-137-4 PubChem CID: 12909789

COA

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SKF 83822 hydrobromide - ≥98%(HPLC) CAS No(74115-10-9) by Aladdin Scientific

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주문 가능

GRADE & PURITY ≥98%(HPLC)

Synonyms

UNII-2377D7H0WG | 6-Chloro-2,3,4,5-tetrahydro-1-(3-methylphenyl)-3-(2-propenyl)-1H-3-benzazepine-7,8-diolhydrobromide | SCHEMBL16241874 | N-allyl-6-chloro-1-(3-methylphenyl)-2,3,4,5-tetrahydro-3-benzazepine-7,8-diol hydrobromide | SKF83822 (hydrobromide)

Storage

Room temperature

Shipped In

Normal

Specifications 이름과 식별자 Documentation Advanced Data Taxonomic Classification 3D 구조 관련 대상(인간) 관련 대상(비인간) 작용 메커니즘 인증서(CoA, COO, BSE/TSE 및 분석 차트) 화학 및 물리적 특성 솔루션 계산기 리뷰

🧪

Why this grade

≥98%(HPLC) for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Room temperature Ships Normal Check lot-specific COA for exact specifications.

📋

Quality documents

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

📚

Literature proof

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

Specifications

동의어

사양 및 순도

≥98%(HPLC)

생화학 및 생리적 메커니즘

High affinity, selective dopamine D1-like receptor agonist. Kivalues are 3.2, 3.1, 186, 66, 335, 1167, 1251 and 1385 nM at recombinant D1, D5, D2, D3, D4, 5-HT2A,α1Aandα1Breceptors respectively. Stimulates adenylyl cyclase (EC50= 65 nM) but not phosphoino

보관 조건

Room temperature

배송

Normal

순수함

≥98%(HPLC)

이름과 식별자

정식 스마일

CC1=CC(=CC=C1)C2CN(CCC3=C(C(=C(C=C23)O)O)Cl)CC=C.Br

IUPAC Name

9-chloro-5-(3-methylphenyl)-3-prop-2-enyl-1,2,4,5-tetrahydro-3-benzazepine-7,8-diol;hydrobromide

InChIKey

CFWPKYBBXBANLU-UHFFFAOYSA-N

INCHI

1S/C20H22ClNO2.BrH/c1-3-8-22-9-7-15-16(11-18(23)20(24)19(15)21)17(12-22)14-6-4-5-13(2)10-14;/h3-6,10-11,17,23-24H,1,7-9,12H2,2H3;1H

이성체 SMILES

CC1=CC(=CC=C1)C2CN(CCC3=C(C(=C(C=C23)O)O)Cl)CC=C.Br

WGK 독일

PubChem CID

12909789

분자량

424.76

Documentation

📋 Safety Data Sheet (SDS)

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

Download SDS →

✅ Certificate of Analysis (COA)

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

Look up COA →

📊 Datasheet

Quick-reference summary of product specifications and applications.

View datasheet →

🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - 분류 Benzazepines

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
분류	Benzazepines
Subclass	Not available
Intermediate Tree Nodes	Not available
Direct Parent	Benzazepines
Alternative Parents	Toluenes Azepines Aralkylamines 1-hydroxy-2-unsubstituted benzenoids Aryl chlorides Trialkylamines Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organochlorides Hydrocarbon derivatives Hydrobromides
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Benzazepine - 1-hydroxy-2-unsubstituted benzenoid - Azepine - Toluene - Aralkylamine - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Tertiary amine - Tertiary aliphatic amine - Azacycle - Amine - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Hydrocarbon derivative - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Hydrobromide - Aromatic heteropolycyclic compound
설명	This compound belongs to the class of organic compounds known as benzazepines. These are organic compounds containing a benzene ring fused to an azepine ring (unsaturated seven-membered heterocycle with one nitrogen atom replacing a carbon atom).
External Descriptors	hydrobromide
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

3D 구조

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용해성	Solvent:ethanol, Max Conc. mg/mL: 3.44, Max Conc. mM: 10; Solvent:DMSO, Max Conc. mg/mL: 34.38, Max Conc. mM: 100
분자량	424.800 g/mol
XLogP3
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	423.06 Da
Monoisotopic Mass	423.06 Da
Topological Polar Surface Area	43.700 Å²
Heavy Atom Count	25
Formal Charge	0
Complexity	432.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	2