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· · COA & SDS available for every product · Same-day shipping on in-stock items OPC-51803 - Moligand™ , Agonist of V 1A receptor;Agonist of V 2 receptor, CAS No.192514-54-8, Agonist of V 1A receptor;Agonist of V 2 receptor
GRADE & PURITY Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. Synonyms
(5R)-5-isopropylaminocarbonylmethyl-1-[4-(1-pyrrolidinyl)-2-chlorobenzoyl]-2,3,4,5-tetrahydro-1H-benzazepine | UNII-1IGV6WTK9I | 1H-1-Benzazepine-5-acetamide, 1-(2-chloro-4-(1-pyrrolidinyl)benzoyl)-2,3,4,5-tetrahydro-N-(1-methylethyl)-, (R)- | BDBM5011748
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Why this grade Moligand™ Moligand™ for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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Storage & shipping Room temperature Ships 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.
Specifications Synonyms
(5R)-5-isopropylaminocarbonylmethyl-1-[4-(1-pyrrolidinyl)-2-chlorobenzoyl]-2, 3, 4, 5-tetrahydro-1H-benzazepine | UNII-1IGV6WTK9I | 1H-1-Benzazepine-5-acetamide, 1-(2-chloro-4-(1-pyrrolidinyl)benzoyl)-2, 3, 4, 5-tetrahydro-N-(1-methylethyl)-, (R)- | BDBM5011748
Specifications & Purity
Moligand™
Mechanism of action
Agonist of V 1A receptor;Agonist of V 2 receptor
Names and Identifiers Canonical Smiles CC(NC(=O)C[C@H]1CCCN(c2c1cccc2)C(=O)c1ccc(cc1Cl)N1CCCC1)C IUPAC Name 2-[(5R)-1-(2-chloro-4-pyrrolidin-1-ylbenzoyl)-2,3,4,5-tetrahydro-1-benzazepin-5-yl]-N-propan-2-ylacetamide InChIKey INGXCNVWWKKWOO-LJQANCHMSA-N INCHI 1S/C26H32ClN3O2/c1-18(2)28-25(31)16-19-8-7-15-30(24-10-4-3-9-21(19)24)26(32)22-12-11-20(17-23(22)27)29-13-5-6-14-29/h3-4,9-12,17-19H,5-8,13-16H2,1-2H3,(H,28,31)/t19-/m1/s1 Isomeric SMILES CC(C)NC(=O)C[C@H]1CCCN(C2=CC=CC=C12)C(=O)C3=C(C=C(C=C3)N4CCCC4)Cl PubChem CID 3038506
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 Kingdom Organic compounds Superclass Organoheterocyclic compounds Class Benzazepines Subclass Not available Intermediate Tree Nodes Not available Direct Parent Benzazepines Alternative Parents Phenylpyrrolidines 2-halobenzoic acids and derivatives Aminobenzoic acids and derivatives Benzamides Aniline and substituted anilines Dialkylarylamines Benzoyl derivatives Chlorobenzenes Azepines Aryl chlorides Vinylogous halides Tertiary carboxylic acid amides Pyrroles Secondary carboxylic acid amides Amino acids and derivatives Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organochlorides Organopnictogen compounds Molecular Framework Aromatic heteropolycyclic compounds Substituents Benzazepine - 1-phenylpyrrolidine - Aminobenzoic acid or derivatives - Halobenzoic acid or derivatives - 2-halobenzoic acid or derivatives - Benzamide - Benzoic acid or derivatives - Benzoyl - Aniline or substituted anilines - Dialkylarylamine - Tertiary aliphatic/aromatic amine - Azepine - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Tertiary carboxylic acid amide - Pyrrolidine - Pyrrole - Vinylogous halide - Tertiary amine - Secondary carboxylic acid amide - Amino acid or derivatives - Carboxamide group - Azacycle - Carboxylic acid derivative - Organooxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Organic oxide - Organopnictogen compound - Organic oxygen compound - Amine - Organohalogen compound - Organochloride - Carbonyl group - Organonitrogen compound - Aromatic heteropolycyclic compound Description 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 Not available Data sources 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.
3D Structure Associated Targets(Human) Mechanisms of Action Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Molecular Weight 454.000 g/mol XLogP3 4.800 Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 3 Rotatable Bond Count 5 Exact Mass 453.218 Da Monoisotopic Mass 453.218 Da Topological Polar Surface Area 52.700 Ų Heavy Atom Count 32 Formal Charge 0 Complexity 651.000 Isotope Atom Count 0 Defined Atom Stereocenter Count 1 Undefined Atom Stereocenter Count 0 Defined Bond Stereocenter Count 0 Undefined Bond Stereocenter Count 0 The total count of all stereochemical bonds 0 Covalently-Bonded Unit Count 1
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