≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at -20°C,Argon charged Ships Ice chest + Ice pads Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Pubchem Sid | 488198384 |
|---|---|
| Canonical Smiles | C1C(=C(N2C(S1)C(C2=O)N)C(=O)OC(C3=CC=CC=C3)C4=CC=CC=C4)CCl.Cl |
| IUPAC Name | benzhydryl (6R,7R)-7-amino-3-(chloromethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate;hydrochloride |
| InChIKey | HDYOATPRFNMLSX-KYSFMIDTSA-N |
| INCHI | 1S/C21H19ClN2O3S.ClH/c22-11-15-12-28-20-16(23)19(25)24(20)17(15)21(26)27-18(13-7-3-1-4-8-13)14-9-5-2-6-10-14;/h1-10,16,18,20H,11-12,23H2;1H/t16-,20-;/m1./s1 |
| Isomeric SMILES | C1C(=C(N2[C@H](S1)[C@@H](C2=O)N)C(=O)OC(C3=CC=CC=C3)C4=CC=CC=C4)CCl.Cl |
| PubChem CID | 13239628 |
| Molecular Weight | 451.37 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Class | Benzene and substituted derivatives |
| Subclass | Diphenylmethanes |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Diphenylmethanes |
| Alternative Parents | Alpha amino acids and derivatives Benzyloxycarbonyls Cephems 1,3-thiazines Tertiary carboxylic acid amides Quaternary ammonium salts Enoate esters Azetidines Thiohemiaminal derivatives Azacyclic compounds Monocarboxylic acids and derivatives Dialkylthioethers Hydrocarbon derivatives Carbonyl compounds Monoalkylamines Organic chloride salts Organic oxides Organic zwitterions Alkyl chlorides Organochlorides |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Diphenylmethane - Alpha-amino acid or derivatives - Benzyloxycarbonyl - Cephem - Meta-thiazine - Quaternary ammonium salt - Tertiary carboxylic acid amide - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Beta-lactam - Amino acid or derivatives - Carboxamide group - Lactam - Azetidine - Carboxylic acid ester - Hemithioaminal - Thioether - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Dialkylthioether - Organoheterocyclic compound - Azacycle - Organic nitrogen compound - Primary aliphatic amine - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Primary amine - Organic zwitterion - Carbonyl group - Organic salt - Organic chloride salt - Hydrocarbon derivative - Organic oxide - Amine - Organic oxygen compound - Alkyl halide - Alkyl chloride - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as diphenylmethanes. These are compounds containing a diphenylmethane moiety, which consists of a methane wherein two hydrogen atoms are replaced by two phenyl groups. |
| External Descriptors | Not available |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 E2316136 | Certificate of Analysis | Feb 05, 2026 | A334288 |
| E2316137 | Certificate of Analysis | Feb 05, 2026 | A334288 |
| E2316138 | Certificate of Analysis | Feb 05, 2026 | A334288 |
| E2316139 | Certificate of Analysis | Feb 05, 2026 | A334288 |
| E2316141 | Certificate of Analysis | Feb 05, 2026 | A334288 |
| E2316142 | Certificate of Analysis | Feb 05, 2026 | A334288 |
| Molecular Weight | 451.400 g/mol |
|---|---|
| XLogP3 | |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 6 |
| Exact Mass | 450.057 Da |
| Monoisotopic Mass | 450.057 Da |
| Topological Polar Surface Area | 97.900 Ų |
| Heavy Atom Count | 29 |
| Formal Charge | 0 |
| Complexity | 626.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 2 |
| 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 | 2 |
