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· · COA & SDS available for every product · Same-day shipping on in-stock items Home Applications Drug Discovery 3-((2'-(1H-Tetrazol-5-yl)-[1,1'-biphenyl]-4-yl)methyl)-2-propyl-1,3-diazaspiro[4.4]non-1-en-4-one , CAS No.158778-58-6 3-((2'-(1H-Tetrazol-5-yl)-[1,1'-biphenyl]-4-yl)methyl)-2-propyl-1,3-diazaspiro[4.4]non-1-en-4-one , CAS No.158778-58-6
Synonyms
Demethyl Irbesartan | 3-((2'-(1H-Tetrazol-5-yl)-[1,1'-biphenyl]-4-yl)methyl)-2-propyl-1,3-diazaspiro[4.4]non-1-en-4-one | Irbesartan Impurity (Demethyl Irbesartan) | 2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-1,3-diazaspiro[4.4]non-1-en-4-o
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Why this grade 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
Demethyl Irbesartan | 3-((2'-(1H-Tetrazol-5-yl)-[1, 1'-biphenyl]-4-yl)methyl)-2-propyl-1, 3-diazaspiro[4.4]non-1-en-4-one | Irbesartan Impurity (Demethyl Irbesartan) | 2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-1, 3-diazaspiro[4.4]non-1-en-4-o
Product Properties Names and Identifiers Canonical Smiles CCCC1=NC2(CCCC2)C(=O)N1CC3=CC=C(C=C3)C4=CC=CC=C4C5=NNN=N5 IUPAC Name 2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-1,3-diazaspiro[4.4]non-1-en-4-one InChIKey MBFZWKSLOSAXDG-UHFFFAOYSA-N INCHI 1S/C24H26N6O/c1-2-7-21-25-24(14-5-6-15-24)23(31)30(21)16-17-10-12-18(13-11-17)19-8-3-4-9-20(19)22-26-28-29-27-22/h3-4,8-13H,2,5-7,14-16H2,1H3,(H,26,27,28,29) Isomeric SMILES CCCC1=NC2(CCCC2)C(=O)N1CC3=CC=C(C=C3)C4=CC=CC=C4C5=NNN=N5 PubChem CID 44285267 Molecular Weight 414.5
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 Benzenoids Class Benzene and substituted derivatives Subclass Biphenyls and derivatives Intermediate Tree Nodes Not available Direct Parent Biphenyls and derivatives Alternative Parents Phenyltetrazoles and derivatives Alpha amino acids and derivatives Imidazolinones Heteroaromatic compounds Tertiary amines Propargyl-type 1,3-dipolar organic compounds Carboximidamides Carboxamidines Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds Molecular Framework Aromatic heteropolycyclic compounds Substituents Biphenyl - Phenyltetrazole - Alpha-amino acid or derivatives - Imidazolinone - Azole - Heteroaromatic compound - 2-imidazoline - Tetrazole - Amino acid or derivatives - Tertiary amine - Amidine - Carboxylic acid amidine - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboximidamide - Organic nitrogen compound - Amine - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Organic oxide - Hydrocarbon derivative - Carbonyl group - Aromatic heteropolycyclic compound Description This compound belongs to the class of organic compounds known as biphenyls and derivatives. These are organic compounds containing to benzene rings linked together by a C-C bond. 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 414.500 g/mol XLogP3 3.600 Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 5 Rotatable Bond Count 6 Exact Mass 414.217 Da Monoisotopic Mass 414.217 Da Topological Polar Surface Area 87.100 Ų Heavy Atom Count 31 Formal Charge 0 Complexity 667.000 Isotope Atom Count 0 Defined Atom Stereocenter Count 0 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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