The store will not work correctly when cookies are disabled.
JavaScript seems to be disabled in your browser. For the best experience on our site, be sure to turn on Javascript in your browser.
· · COA & SDS available for every product · Same-day shipping on in-stock items 1(2H)-Phthalazinone, 4-((4-chlorophenyl)methyl)-2-(((2R)-1-(4-(4-(3-(hexahydro-1H-azepin-1-yl)propoxy)phenyl)butyl)-2-pyrrolidinyl)methyl)- , Histamine H1 receptor antagonist, CAS No.955359-72-5, Histamine H1 receptor antagonist
Synonyms
GSK-1004723 | SCHEMBL986140 | CHEMBL1767164 | UNII-S08212J4ZR | AKOS040748453 | 4-[(4-chlorophenyl)methyl]-2-({(2r)-1-[4-(4-{[3-(hexahydro-1h-azepin-1-yl)propyl]oxy}phenyl)butyl]-2-pyrrolidinyl}methyl)-1(2h)-phthalazinone | GSK1004723 | BDBM50341447 | (R)
🧪
Why this grade for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
🌡
Storage & shipping Room temperature Ships 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 Synonyms
GSK-1004723 | SCHEMBL986140 | CHEMBL1767164 | UNII-S08212J4ZR | AKOS040748453 | 4-[(4-chlorophenyl)methyl]-2-({(2r)-1-[4-(4-{[3-(hexahydro-1h-azepin-1-yl)propyl]oxy}phenyl)butyl]-2-pyrrolidinyl}methyl)-1(2h)-phthalazinone | GSK1004723 | BDBM50341447 | (R)
Mechanism of action
Histamine H1 receptor antagonist
Product Properties Names and Identifiers Canonical Smiles C1CCCN(CC1)CCCOC2=CC=C(C=C2)CCCCN3CCCC3CN4C(=O)C5=CC=CC=C5C(=N4)CC6=CC=C(C=C6)Cl IUPAC Name 2-[[(2R)-1-[4-[4-[3-(azepan-1-yl)propoxy]phenyl]butyl]pyrrolidin-2-yl]methyl]-4-[(4-chlorophenyl)methyl]phthalazin-1-one InChIKey YANGEESWIGIKOP-UUWRZZSWSA-N INCHI 1S/C39H49ClN4O2/c40-33-19-15-32(16-20-33)29-38-36-13-3-4-14-37(36)39(45)44(41-38)30-34-12-9-27-43(34)26-8-5-11-31-17-21-35(22-18-31)46-28-10-25-42-23-6-1-2-7-24-42/h3-4,13-22,34H,1-2,5-12,23-30H2/t34-/m1/s1 Isomeric SMILES C1CCCN(CC1)CCCOC2=CC=C(C=C2)CCCCN3CCC[C@@H]3CN4C(=O)C5=CC=CC=C5C(=N4)CC6=CC=C(C=C6)Cl PubChem CID 17747460 Molecular Weight 641.3
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 Diazanaphthalenes Subclass Benzodiazines Intermediate Tree Nodes Phthalazines Direct Parent Phthalazinones Alternative Parents Phenylbutylamines Phenol ethers Phenoxy compounds Alkyl aryl ethers Aralkylamines Azepanes Chlorobenzenes Pyridazinones N-alkylpyrrolidines Aryl chlorides Heteroaromatic compounds Lactams Trialkylamines Azacyclic compounds Hydrocarbon derivatives Organic oxides Organochlorides Organopnictogen compounds Molecular Framework Aromatic heteropolycyclic compounds Substituents Phenylbutylamine - Phthalazinone - Phenol ether - Phenoxy compound - Alkyl aryl ether - Azepane - Chlorobenzene - Halobenzene - Pyridazinone - Aralkylamine - Benzenoid - Monocyclic benzene moiety - Aryl chloride - Pyridazine - Aryl halide - N-alkylpyrrolidine - Pyrrolidine - Heteroaromatic compound - Tertiary aliphatic amine - Tertiary amine - Lactam - Azacycle - Ether - Organic oxide - Organohalogen compound - Organochloride - Organonitrogen compound - Hydrocarbon derivative - Organooxygen compound - Amine - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Aromatic heteropolycyclic compound Description This compound belongs to the class of organic compounds known as phthalazinones. These are compounds containing a phthalazine bearing a ketone group. 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) Associated Targets(non-human) Mechanisms of Action Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Molecular Weight 641.300 g/mol XLogP3 8.300 Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 5 Rotatable Bond Count 14 Exact Mass 640.354 Da Monoisotopic Mass 640.354 Da Topological Polar Surface Area 48.400 Ų Heavy Atom Count 46 Formal Charge 0 Complexity 938.000 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
Solution Calculators Molarity Calculator Determine the necessary mass, volume, or concentration for preparing a solution.
Dilution Calculator Determine the dilution needed to prepare a stock solution.
Reconstitution Calculator Reviews
We use cookies to ensure the website functions properly and, where permitted, to improve your experience. You can manage your preferences at any time in Settings. Learn more in our
Cookie Policy. Settings Agree All Decline
Shall we send you a message when we have discounts available?
Remind me later Allow
Thank you! Please check your email inbox to confirm.
Oops! Notifications are disabled.
Products are supplied to verified businesses, institutions, and qualified professionals for research and development use only. Not for use in humans, animals, diagnosis, or therapy.
Copyright © 2023–present Aladdin Scientific Corp. All rights reserved.
