SKF 77434 hydrobromide - ≥99%(HPLC) , CAS No.300561-58-4

CAS: 300561-58-4 Cat. No.: S287583 Summenformel: C19H21NO2•HBr Molekulargewicht: 376.29 PubChem CID: 11957703
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GRADE & PURITY ≥99%(HPLC)
Synonyms
SMR001230751 | SKF77434 (hydrobromide) | UNII-1C4570NI42 | SR-01000075405-1 | SKF-77434 hydrobromide | (?)-SKF 38393, N-allyl-, hydrobromide | NCG-C00094408-01 | NCGC00094408-01 | Tox21_501143 | CCG-222447 | NCGC00261828-01 | SCHEMBL11288446 | 3-allyl-1-p
Storage
Store at 2-8°C,Desiccated
Shipped In
Wet ice
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Size
Deutschland (EU)
USA*
Price
Qty
10mg
S287583-10mg
Auf Bestellung · 8–12 Wochen
177,80€
50mg
S287583-50mg
Auf Bestellung · 8–12 Wochen
672,41€
Enter a quantity for the sizes you want to add.
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Why this grade

≥99%(HPLC) for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Store at 2-8°C,Desiccated Ships Wet ice 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

Synonyme
SMR001230751 | SKF77434 (hydrobromide) | UNII-1C4570NI42 | SR-01000075405-1 | SKF-77434 hydrobromide | (?)-SKF 38393, N-allyl-, hydrobromide | NCG-C00094408-01 | NCGC00094408-01 | Tox21_501143 | CCG-222447 | NCGC00261828-01 | SCHEMBL11288446 | 3-allyl-1-p
Spezifikationen & Reinheit
≥99%(HPLC)
Biochemische und physiologische Mechanismen
Selective dopamine D1-like receptor partial agonist (IC50values are 19.7 and 2425 nM for binding to D1-like and D2-like receptors respectively). Centrally active following systemic administrationin vivo.
Storage
Store at 2-8°C,Desiccated
Verschickt in
Wet ice
Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.
Reinheit
≥99%(HPLC)
Namen und Kennungen
Kanonisches LächelnC=CCN1CCC2=CC(=C(C=C2C(C1)C3=CC=CC=C3)O)O.Br
IUPAC Name5-phenyl-3-prop-2-enyl-1,2,4,5-tetrahydro-3-benzazepine-7,8-diol;hydrobromide
InChIKeyJWQRAXTWDYUBFI-UHFFFAOYSA-N
INCHI1S/C19H21NO2.BrH/c1-2-9-20-10-8-15-11-18(21)19(22)12-16(15)17(13-20)14-6-4-3-5-7-14;/h2-7,11-12,17,21-22H,1,8-10,13H2;1H
Isomere SMILES C=CCN1CCC2=CC(=C(C=C2C(C1)C3=CC=CC=C3)O)O.Br
PubChem CID 11957703
Molekulargewicht 376.29

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

KingdomOrganic compounds
SuperclassOrganoheterocyclic compounds
KlasseBenzazepines
SubclassNot available
Intermediate Tree Nodes Not available
Direct ParentBenzazepines
Alternative Parents Azepines  Aralkylamines  1-hydroxy-2-unsubstituted benzenoids  Benzene and substituted derivatives  Trialkylamines  Azacyclic compounds  Organopnictogen compounds  Organooxygen compounds  Hydrocarbon derivatives  Hydrobromides  
Molecular FrameworkAromatic heteropolycyclic compounds
Substituents Benzazepine - Azepine - 1-hydroxy-2-unsubstituted benzenoid - Aralkylamine - Monocyclic benzene moiety - Benzenoid - Tertiary aliphatic amine - Tertiary amine - Azacycle - Hydrobromide - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Amine - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound
BeschreibungThis 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
3D-Struktur
Interaktives chemisches Strukturmodell





Zugehörige Ziele (menschlich)
ADRB2 Tclin Beta-2 adrenergic receptor (11824 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HTR2A Tclin Serotonin 2a (5-HT2a) receptor (14758 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
OPRM1 Tclin Mu opioid receptor (19785 Activities)
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KCNH2 Tclin HERG (29587 Activities)
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EHMT2 Tchem Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 (93046 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
KDM4E Tchem Lysine-specific demethylase 4D-like (40243 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
LMNA Tbio Prelamin-A/C (36751 Activities)
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BLM Tchem Bloom syndrome protein (4248 Activities)
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PMP22 Tbio Peripheral myelin protein 22 (699 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
MPHOSPH8 Tbio M-phase phosphoprotein 8 (656 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
GLS Tchem Glutaminase kidney isoform, mitochondrial (16997 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Zugehörige Ziele (nicht menschlich)
ampC Beta-lactamase AmpC (62480 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Plasmodium falciparum (966862 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Txnrd1 Thioredoxin reductase 1, cytoplasmic (45279 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
TGR Thioredoxin glutathione reductase (28579 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
nfo Endonuclease 4 (425 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Wirkungsmechanismen
Zertifikate (CoA, COO, BSE/TSE und Analyse-Diagramm)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Chemische und physikalische Eigenschaften
LöslichkeitSolvent:water, Max Conc. mg/mL: 3.76, Max Conc. mM: 10; Solvent:DMSO, Max Conc. mg/mL: 29.54, Max Conc. mM: 100
Molekulargewicht376.300 g/mol
XLogP3
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass375.083 Da
Monoisotopic Mass375.083 Da
Topological Polar Surface Area43.700 Ų
Heavy Atom Count23
Formal Charge0
Complexity366.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count2
Lösungsrechner
Bewertungen

Kundenbewertungen

Häufig gestellte Fragen

What is the purity of this product, and how is it determined?
This product is supplied at ≥99% purity, determined by HPLC. Lot-specific values are stated on the Certificate of Analysis.
How should this product be stored?
Store at 2–8 °C, desiccated. Keep the container tightly closed with desiccant — the material is moisture-sensitive.
How is this product shipped?
This product ships chilled on wet ice. Unpack on arrival and transfer it to the storage condition stated above.
What are the CAS number, molecular formula and molecular weight?
The CAS Number is 300561-58-4, the molecular formula is C19H21NO2?HBr, and the molecular weight is 376.29 g/mol. InChIKey JWQRAXTWDYUBFI-UHFFFAOYSA-N.
What documentation is provided?
Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.

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