loading...| Preferred Name |
5-[2-(dimethylamino)ethyl]-2-(4-methoxyphenyl)-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepin-3-yl acetate |
|
| Synonyms |
5-[2-(dimethylamino)ethyl]-2-(4-methoxyphenyl)-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepin-3-yl acetate 3-acetoxy-5-(2-(dimethylamino)ethyl)-2,3-dihydro-2-(4-methoxyphenyl)-1,5-benzothiazepin-4(5H)-one |
|
| Definitions |
A lactam that is 2,3-dihydro-1,5-benzothiazepin-4(5H)-one in which positions 2 and 3 are substituted by 4-methoxyphenyl and acetoxy, respectively, while the hydrogen attached to the nitrogen is substituted by a 2-(dimethylamino)ethyl group. |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_82814 |
|
| charge |
0 |
|
| database_cross_reference |
Reaxys:25644899 LINCS:LSM-1744 CAS:34933-06-7 |
|
| definition |
A lactam that is 2,3-dihydro-1,5-benzothiazepin-4(5H)-one in which positions 2 and 3 are substituted by 4-methoxyphenyl and acetoxy, respectively, while the hydrogen attached to the nitrogen is substituted by a 2-(dimethylamino)ethyl group. |
|
| formula |
C22H26N2O4S |
|
| has_exact_synonym |
5-[2-(dimethylamino)ethyl]-2-(4-methoxyphenyl)-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepin-3-yl acetate |
|
| has_obo_namespace |
chebi_ontology |
|
| has_related_synonym |
3-acetoxy-5-(2-(dimethylamino)ethyl)-2,3-dihydro-2-(4-methoxyphenyl)-1,5-benzothiazepin-4(5H)-one |
|
| id |
CHEBI:82814 |
|
| in_subset | ||
| inchi |
InChI=1S/C22H26N2O4S/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/h5-12,20-21H,13-14H2,1-4H3 |
|
| inchikey |
HSUGRBWQSSZJOP-UHFFFAOYSA-N |
|
| label |
5-[2-(dimethylamino)ethyl]-2-(4-methoxyphenyl)-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepin-3-yl acetate |
|
| mass |
414.51800 |
|
| monoisotopicmass |
414.16133 |
|
| notation |
CHEBI:82814 |
|
| prefLabel |
5-[2-(dimethylamino)ethyl]-2-(4-methoxyphenyl)-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepin-3-yl acetate |
|
| smiles |
COc1ccc(cc1)C1Sc2ccccc2N(CCN(C)C)C(=O)C1OC(C)=O |
|
| treeView |
http://purl.obolibrary.org/obo/CHEBI_47622 http://purl.obolibrary.org/obo/CHEBI_35618 http://purl.obolibrary.org/obo/CHEBI_48684 |
|
| subClassOf |
http://purl.obolibrary.org/obo/CHEBI_47622 http://purl.obolibrary.org/obo/CHEBI_35618 http://purl.obolibrary.org/obo/CHEBI_48684 |
| Delete | Mapping To | Ontology | Source |
|---|---|---|---|
| http://purl.obolibrary.org/obo/CHEBI_82814 | PDRO | SAME_URI | |
| http://purl.obolibrary.org/obo/CHEBI_82814 | BERO | SAME_URI | |
| http://purl.obolibrary.org/obo/CHEBI_82814 | DRON | SAME_URI | |
| http://purl.obolibrary.org/obo/CHEBI_82814 | DIDEO | SAME_URI | |
| http://purl.obolibrary.org/obo/CHEBI_82814 | PDRO | LOOM | |
| http://purl.obolibrary.org/obo/CHEBI_82814 | BERO | LOOM | |
| http://purl.obolibrary.org/obo/CHEBI_82814 | DRON | LOOM | |
| http://purl.obolibrary.org/obo/CHEBI_82814 | DIDEO | LOOM |