(2S)-cis-3-(Acetyloxy)-2,3-dihydro-2-(4-methoxyphenyl)-1,5-benzothiazepin-4(5H)-one

HCID 11110671
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Grundinformationen

CAS
87447-47-0
Standard-SMILES
COc1ccc([C@@H]2Sc3ccccc3NC(=O)[C@@H]2OC(C)=O)cc1
InChIKey
WKLRIRQZTCFCSE-SJORKVTESA-N
Summenformel
C18H17NO4S
Durchschnittliche Molmasse
343,4 g/mol
Monoisotopische Masse
343,0878292

Namen und Bezeichner

Bevorzugter Name
(2S)-cis-3-(Acetyloxy)-2,3-dihydro-2-(4-methoxyphenyl)-1,5-benzothiazepin-4(5H)-one
IUPAC
[(2S,3S)-2-(4-methoxyphenyl)-4-oxo-3,5-dihydro-2H-1,5-benzothiazepin-3-yl] acetate
Englischer Name
Diltiazem EP Impurity B
Summenformel
C18H17NO4S
Molmasse
343.4

Namen und Synonyme

(2S)-cis-3-(Acetyloxy)-2,3-dihydro-2-(4-methoxyphenyl)-1,5-benzothiazepin-4(5H)-oneDTXSID00455591RefChem:398679DTXCID30406410623-431-187447-47-0Diltiazem EP Impurity BDes[5-(2-dimethylamino)ethyl] Diltiazem(2S,3S)-2-(4-Methoxyphenyl)-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepin-3-yl Acetate(2S,3S)-2-(4-Methoxyphenyl)-4-oxo-2,3,4,5-tetrahydrobenzo[b][1,4]thiazepin-3-yl acetateA825VH5J6V[(2S,3S)-2-(4-methoxyphenyl)-4-oxo-3,5-dihydro-2H-1,5-benzothiazepin-3-yl] acetate
Weitere Namen anzeigen
DiltiazeM IMpurity BDiltiazem Acetoxy LactumAcetoxy Lactam DiltiazemDiltiazem Hydrochloride Impurity B(2S,3S)-2-(4-Methoxyphenyl)-4-oxo-2Diltiazem Hydrochloride EP Impurity B(2S-cis)-3-(acetyloxy)-2,3-dihydro-2-*(4-methoxyp(2S-CIS)-3-(ACETYLOXY)-2,3-DIHYDRO-2-(4- METHOXYPHE
1,5-Benzothiazepin-4(5H)-one, 3-(acetyloxy)-2,3-dihydro-2-(4-methoxyphenyl)-, (2S,3S)-1,5-Benzothiazepin-4(5H)-one, 3-(acetyloxy)-2,3-dihydro-2-(4-methoxyphenyl)-, (2S-cis)-Diltiazem Hydrochloride Imp. B (EP); Diltiazem Imp. B (EP); (2S,3S)-2-(4-Methoxyphenyl)-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepin-3-yl Acetate; Diltiazem Hydrochloride Impurity B; Diltiazem Impurity B(2S,3S)-3-(Acetyloxy)-2,3-dihydro-2-(4-methoxyphenyl)-1,5-benzothiazepin-4(5H)-oneUNII-A825VH5J6VSCHEMBL7343478WKLRIRQZTCFCSE-SJORKVTESA-NMFCD00153902

Datenbank-Bezeichner

CAS
87447-47-0
PubChem CID
11110671
DTXSID
DTXSID00455591
UNII
A825VH5J6V
EC Number
623-431-1
Nikkaji
J380.185C

Eigenschaften

Berechnete Struktureigenschaften

XLogP
2,8
Polarare Oberfläche (TPSA)
89,9 Ų
H-Brücken-Donoren
1
H-Brücken-Akzeptoren
5
Frei drehbare Bindungen
4
Schwere Atome
24

Physikochemische Eigenschaften

Schmelzpunkt
147 · 147-150C
Siedepunkt
535.9 · 535.9±50.0 °C(Predicted)
Dichte
1.33 · 1.33±0.1 g/cm3(Predicted)
storage temp.
2 · 2-8°C
Löslichkeit
Chloroform (Slightly), Methanol (Slightly)
pka
12.99 · 12.99±0.60(Predicted)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H315 (97.5%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (97.5%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (97.5%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Gefahrenhinweise

Hazard Classes and CategoriesSkin Irrit. 2 (97.5%)；Eye Irrit. 2 (97.5%)；STOT SE 3 (97.5%)

Sicherheitsdaten

wgk
3
risk_code
36/37/38
hazard_code
Xi
safety_code
26-36

Chemie und Industrie

Vor- und nachgelagerte Produkte

Anbieter50 Anbieter

上海策嵘生物科技有限公司[email protected]
艾吉析科技（上海）有限公司17717235263 · [email protected]
怀化元研达生物技术有限责任公司18711085600 · [email protected]
广州隽唐科技有限公司020-36607679 13502246435 · [email protected]
Guangzhou Tosun Pharmaceutical Limited+86-18124244216 +86-18124244216 · [email protected]

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