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· · COA & SDS available for every product · Same-day shipping on in-stock items Tanogitran , CAS No.637328-69-9
Synonyms
Tanogitran | Tanogitran [INN] | UNII-X5QRR6Z56Q | X5QRR6Z56Q | BIBT986 | BIBT-986-BS | BIBT-986 | N-((2R)-2-(2-((4-Carbamimidoylanilino)methyl)-1-methyl-1H-benzimidazol-5-yl)-1-oxo-1-(pyrrolidin-1-yl)propan-2-yl)glycine | MAOALPSHCIBFJZ-RUZDIDTESA-N | BDB
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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
Tanogitran | Tanogitran [INN] | UNII-X5QRR6Z56Q | X5QRR6Z56Q | BIBT986 | BIBT-986-BS | BIBT-986 | N-((2R)-2-(2-((4-Carbamimidoylanilino)methyl)-1-methyl-1H-benzimidazol-5-yl)-1-oxo-1-(pyrrolidin-1-yl)propan-2-yl)glycine | MAOALPSHCIBFJZ-RUZDIDTESA-N | BDB
Product Properties Names and Identifiers Canonical Smiles CC(C1=CC2=C(C=C1)N(C(=N2)CNC3=CC=C(C=C3)C(=N)N)C)(C(=O)N4CCCC4)NCC(=O)O IUPAC Name 2-[[(2R)-2-[2-[(4-carbamimidoylanilino)methyl]-1-methylbenzimidazol-5-yl]-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]amino]acetic acid InChIKey MAOALPSHCIBFJZ-RUZDIDTESA-N INCHI 1S/C25H31N7O3/c1-25(29-15-22(33)34,24(35)32-11-3-4-12-32)17-7-10-20-19(13-17)30-21(31(20)2)14-28-18-8-5-16(6-9-18)23(26)27/h5-10,13,28-29H,3-4,11-12,14-15H2,1-2H3,(H3,26,27)(H,33,34)/t25-/m1/s1 Isomeric SMILES C[C@@](C1=CC2=C(C=C1)N(C(=N2)CNC3=CC=C(C=C3)C(=N)N)C)(C(=O)N4CCCC4)NCC(=O)O Molecular Weight 477.6 Reaxy-Rn 15442996 Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=15442996&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 Organic acids and derivatives Class Carboxylic acids and derivatives Subclass Amino acids, peptides, and analogues Intermediate Tree Nodes Amino acids and derivatives - Alpha amino acids and derivatives Direct Parent Alpha amino acid amides Alternative Parents Alpha amino acids Benzimidazoles Aniline and substituted anilines N-acylpyrrolidines Phenylalkylamines Secondary alkylarylamines N-substituted imidazoles Heteroaromatic compounds Tertiary carboxylic acid amides Amino acids Monocarboxylic acids and derivatives Dialkylamines Carboxylic acids Carboximidamides Carboxamidines Azacyclic compounds Hydrocarbon derivatives Carbonyl compounds Organic oxides Molecular Framework Aromatic heteropolycyclic compounds Substituents Alpha-amino acid amide - Alpha-amino acid - Benzimidazole - N-acylpyrrolidine - Aniline or substituted anilines - Phenylalkylamine - Secondary aliphatic/aromatic amine - Aralkylamine - N-substituted imidazole - Benzenoid - Monocyclic benzene moiety - Pyrrolidine - Imidazole - Tertiary carboxylic acid amide - Azole - Heteroaromatic compound - Amino acid - Carboxamide group - Amidine - Azacycle - Carboxylic acid amidine - Organoheterocyclic compound - Carboxylic acid - Secondary aliphatic amine - Carboximidamide - Monocarboxylic acid or derivatives - Secondary amine - Organic nitrogen compound - Amine - Organic oxide - Hydrocarbon derivative - Organic oxygen compound - Carbonyl group - Organooxygen compound - Organonitrogen compound - Aromatic heteropolycyclic compound Description This compound belongs to the class of organic compounds known as alpha amino acid amides. These are amide derivatives of alpha amino acids. 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 477.600 g/mol XLogP3 -1.000 Hydrogen Bond Donor Count 5 Hydrogen Bond Acceptor Count 7 Rotatable Bond Count 9 Exact Mass 477.249 Da Monoisotopic Mass 477.249 Da Topological Polar Surface Area 149.000 Ų Heavy Atom Count 35 Formal Charge 0 Complexity 781.000 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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