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· · COA & SDS available for every product · Same-day shipping on in-stock items Home Applications Drug Discovery 9,10-Dihydro-9,10-bis(2-carboxyethyl)-N-(4-nitrophenyl)-10,9-(epoxyimino)anthracene-12-carboxamide , CAS No.1225023-87-9 9,10-Dihydro-9,10-bis(2-carboxyethyl)-N-(4-nitrophenyl)-10,9-(epoxyimino)anthracene-12-carboxamide , CAS No.1225023-87-9
Synonyms
AZB02387 | SCHEMBL15768459 | 3-[1-(2-carboxyethyl)-16-[(4-nitrophenyl)carbamoyl]-15-oxa-16-azatetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaen-8-yl]propanoic acid | 9,10-Dihydro-9,10-bis(2-carboxyethyl)-N-(4-nitrophenyl)-10,9-(epoxyimino)anthrace
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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 Normal 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
AZB02387 | SCHEMBL15768459 | 3-[1-(2-carboxyethyl)-16-[(4-nitrophenyl)carbamoyl]-15-oxa-16-azatetracyclo[6.6.2.02, 7.09, 14]hexadeca-2, 4, 6, 9, 11, 13-hexaen-8-yl]propanoic acid | 9, 10-Dihydro-9, 10-bis(2-carboxyethyl)-N-(4-nitrophenyl)-10, 9-(epoxyimino)anthrace
Names and Identifiers Canonical Smiles C1=CC=C2C(=C1)C3(C4=CC=CC=C4C2(ON3C(=O)NC5=CC=C(C=C5)[N+](=O)[O-])CCC(=O)O)CCC(=O)O IUPAC Name 3-[1-(2-carboxyethyl)-16-[(4-nitrophenyl)carbamoyl]-15-oxa-16-azatetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaen-8-yl]propanoic acid InChIKey IGXYVYDHRNQRAA-UHFFFAOYSA-N INCHI 1S/C27H23N3O8/c31-23(32)13-15-26-19-5-1-3-7-21(19)27(16-14-24(33)34,22-8-4-2-6-20(22)26)38-29(26)25(35)28-17-9-11-18(12-10-17)30(36)37/h1-12H,13-16H2,(H,28,35)(H,31,32)(H,33,34) Isomeric SMILES C1=CC=C2C(=C1)C3(C4=CC=CC=C4C2(ON3C(=O)NC5=CC=C(C=C5)[N+](=O)[O-])CCC(=O)O)CCC(=O)O Molecular Weight 517.49 Reaxy-Rn 20448029 Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=20448029&ln=
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 Anthracenes Subclass Not available Intermediate Tree Nodes Not available Direct Parent Anthracenes Alternative Parents N-phenylureas Nitrobenzenes Nitroaromatic compounds Dicarboxylic acids and derivatives Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Organic oxoazanium compounds Carboxylic acids Azacyclic compounds Organonitrogen compounds Organic salts Organic oxides Hydrocarbon derivatives Carbonyl compounds Organic cations Molecular Framework Aromatic heteropolycyclic compounds Substituents Anthracene - N-phenylurea - Nitrobenzene - Nitroaromatic compound - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - C-nitro compound - Organic nitro compound - Azacycle - Carboxylic acid derivative - Carboxylic acid - Oxacycle - Organic oxoazanium - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organoheterocyclic compound - Carbonyl group - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organic salt - Organic nitrogen compound - Organic cation - Aromatic heteropolycyclic compound Description This compound belongs to the class of organic compounds known as anthracenes. These are organic compounds containing a system of three linearly fused benzene rings. 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 Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Molecular Weight 517.500 g/mol XLogP3 2.900 Hydrogen Bond Donor Count 3 Hydrogen Bond Acceptor Count 8 Rotatable Bond Count 7 Exact Mass 517.149 Da Monoisotopic Mass 517.149 Da Topological Polar Surface Area 162.000 Ų Heavy Atom Count 38 Formal Charge 0 Complexity 919.000 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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