for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships 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.
| Canonical Smiles | CC(=O)OC1C(SC2=CC=CC=C2N(C1=O)CCN(C)C)C3=CC=C(C=C3)OC.C(C(C(=O)O)O)C(=O)O |
|---|---|
| IUPAC Name | [(2S,3S)-5-[2-(dimethylamino)ethyl]-2-(4-methoxyphenyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-3-yl] acetate;2-hydroxybutanedioic acid |
| InChIKey | IUSFTUWHKCSCDY-BHDTVMLSSA-N |
| INCHI | 1S/C22H26N2O4S.C4H6O5/c1-15(25)28-20-21(16-9-11-17(27-4)12-10-16)29-19-8-6-5-7-18(19)24(22(20)26)14-13-23(2)3;5-2(4(8)9)1-3(6)7/h5-12,20-21H,13-14H2,1-4H3;2,5H,1H2,(H,6,7)(H,8,9)/t20-,21+;/m1./s1 |
| Isomeric SMILES | CC(=O)O[C@@H]1[C@@H](SC2=CC=CC=C2N(C1=O)CCN(C)C)C3=CC=C(C=C3)OC.C(C(C(=O)O)O)C(=O)O |
| Molecular Weight | 548.6 |
| Reaxy-Rn | 13519955 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=13519955&ln= |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Benzothiazepines |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Benzothiazepines |
| Alternative Parents | Phenoxy compounds Methoxybenzenes Anisoles Short-chain hydroxy acids and derivatives Alkyl aryl ethers Alkylarylthioethers Beta hydroxy acids and derivatives Alpha hydroxy acids and derivatives Fatty acids and conjugates Dicarboxylic acids and derivatives Tertiary carboxylic acid amides Trialkylamines Secondary alcohols Lactams Amino acids and derivatives Carboxylic acid esters Carboxylic acids Azacyclic compounds Organopnictogen compounds Hydrocarbon derivatives Carbonyl compounds Organic oxides |
| Molecular Framework | Not available |
| Substituents | Benzothiazepine - Phenol ether - Phenoxy compound - Aryl thioether - Methoxybenzene - Anisole - Short-chain hydroxy acid - Alkyl aryl ether - Beta-hydroxy acid - Alkylarylthioether - Alpha-hydroxy acid - Benzenoid - Fatty acid - Dicarboxylic acid or derivatives - Hydroxy acid - Monocyclic benzene moiety - Tertiary carboxylic acid amide - Carboxamide group - Carboxylic acid ester - Amino acid or derivatives - Lactam - Tertiary aliphatic amine - Secondary alcohol - Tertiary amine - Carboxylic acid - Carboxylic acid derivative - Thioether - Ether - Azacycle - Alcohol - Carbonyl group - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Amine - Organic oxygen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as benzothiazepines. These are organic compounds containing a benzene fused to a thiazepine ring (a seven-membered ring with a nitrogen atom and a sulfur atom replacing two carbon atoms). |
| External Descriptors | Not available |
![[(2S,3S)-5-[2-(dimethylamino)ethyl]-2-(4-methoxyphenyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-3-yl] acetate;2-hydroxybutanedioic acid - CAS No(168918) by Aladdin Scientific](https://www.aladdinsci.com/media/catalog/product/cache/207e23213cf636ccdef205098cf3c8a3/S/6/S670973.jpg)