3-Acetoxy-5-[2-(dimethylamino)ethyl]-2,3-dihydro-2-(4-methoxyphenyl)-1,5-benzothiazepin-4(5H)-on
3-(Acetyloxy)-5-(2-(dimethylamino)ethyl)-2,3-dihydro-2-(4-methoxyphenyl)-1,5-benzothiazepin-4(5H)-one
Grundinformationen
- CAS
34933-06-7- Standard-SMILES
COc1ccc(C2Sc3ccccc3N(CCN(C)C)C(=O)C2OC(C)=O)cc1- InChIKey
HSUGRBWQSSZJOP-UHFFFAOYSA-N- Summenformel
- C22H26N2O4S
- Durchschnittliche Molmasse
- 414,5 g/mol
- Monoisotopische Masse
- 414,16132849
Namen und Bezeichner
- Bevorzugter Name
- 3-(Acetyloxy)-5-(2-(dimethylamino)ethyl)-2,3-dihydro-2-(4-methoxyphenyl)-1,5-benzothiazepin-4(5H)-one
- IUPAC
- [5-[2-(dimethylamino)ethyl]-2-(4-methoxyphenyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-3-yl] acetate
- Lokaler Name
- 3-Acetoxy-5-[2-(dimethylamino)ethyl]-2,3-dihydro-2-(4-methoxyphenyl)-1,5-benzothiazepin-4(5H)-on
- Englischer Name
- 3-acetoxy-5-[2-(dimethylamino)ethyl]-2,3-dihydro-2-(4-methoxyphenyl)-1,5-benzothiazepin-4(5H)-one
- Summenformel
- C22H26N2O4S
- Molmasse
- 414.51784
Namen und Synonyme
34933-06-73-Acetoxy-5-(2-(dimethylamino)ethyl)-2,3-dihydro-2-(4-methoxyphenyl)-1,5-benzothiazepin-4(5H)-oneRefChem:1066966252-295-23-(Acetyloxy)-5-(2-(dimethylamino)ethyl)-2,3-dihydro-2-(4-methoxyphenyl)-1,5-benzothiazepin-4(5H)-one5-[2-(Dimethylamino)ethyl]-2-(4-methoxyphenyl)-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepin-3-yl acetateDiltiazem D4[5-[2-(dimethylamino)ethyl]-2-(4-methoxyphenyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-3-yl] acetate56209-45-15-(2-(Dimethylamino)ethyl)-2-(4-methoxyphenyl)-4-oxo-2,3,4,5-tetrahydrobenzo[b][1,4]thiazepin-3-yl acetate[3H](+)-cis-diltiazem[3H]-(+)-cis-diltiazem
Weitere Namen anzeigen
l-trans-Diltiazemd-trans-Diltiazem3-acetoxy-5-[2-(dimethylamino)ethyl]-2,3-dihydro-2-(4-methoxyphenyl)-1,5-benzothiazepin-4(5H)-one[5-(2-dimethylaminoethyl)-2-(4-methoxyphenyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-3-yl] ethanoate5-[2-(Dimethylamino)ethyl]-2,3,4,5-tetrahydro-2-(4-methoxyphenyl)-4-oxo-1,5-benzothiazepin-3-ol acetate1,5-Benzothiazepin-4(5H)-one, 3-(acetyloxy)-5-[2-(dimethylamino)ethyl]-2,3-dihydro-2-(4-methoxyphenyl)-acetic acid [5-(2-dimethylaminoethyl)-4-keto-2-(4-methoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-3-yl] ester(2S,3R)-2,3-Dihydro-2-(4-methoxyphenyl)-3-hydroxy-5-[2-(dimethylamino)ethyl]-1,5-benzothiazepine-4(5H)-one acetate(2R,3S)-2,3-Dihydro-2-(4-methoxyphenyl)-3-hydroxy-5-[2-(dimethylamino)ethyl]-1,5-benzothiazepine-4(5H)-one acetate
EINECS 252-295-2[5-(2-dimethylaminoethyl)-2-(4-methoxyphenyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-3-yl] acetateSpectrum_000244Spectrum2_001736Spectrum4_001262Spectrum5_001750Oprea1_266240BSPBio_002398
Datenbank-Bezeichner
- CAS
34933-06-7、56209-45-1- PubChem CID
- 3076
- DTXSID
DTXSID50881104- ChEMBL
CHEMBL603584- ChEBI
CHEBI:82814- EC Number
- 252-295-2、260-060-0
- Nikkaji
- J221.636A
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 3,1
- Polarare Oberfläche (TPSA)
- 84,4 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 6
- Frei drehbare Bindungen
- 7
- Schwere Atome
- 29
- Formalladung
- 0
- Komplexität
- 565
Experimentelle und physikochemische Eigenschaften
Kovats Retention Index
2927；2960；2967.1
2922.2；2919；2962.7；2970
Chemie und Industrie
Pharmakologische Informationen
ATC CodeC08DB01
Anbieter2 Anbieter
APAC Pharmaceutical, LLC[email protected]
Apin Chemicals Limited (UK)[email protected]
Ergänzende Hinweise
DefinitionChEBI: 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 gro p.
Zugehörige Reaktionen
5
Notizen zur Verbindung
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