(2R-cis)-3-acetoxy-5-[2-(dimethylamino)ethyl]-2,3-dihydro-2-(4-methoxyphenyl)-1,5-benzothiazepin-4(5H)-one monohydrochloride (CAS 42399-54-2) — formula C22H27ClN2O4S, molecular weight 451.0; category organic chemicals.
| CAS Number | 42399-54-2 |
|---|---|
| Molecular Formula | C22H27ClN2O4S |
| Molecular Weight | 451.0 |
| Category | Organic Chemicals |
(2R-cis)-3-acetoxy-5-[2-(dimethylamino)ethyl]-2,3-dihydro-2-(4-methoxyphenyl)-1,5-benzothiazepin-4(5H)-one monohydrochloride is a carbon-based organic compound with CAS registry number 42399-54-2 and molecular formula C22H27ClN2O4S (molecular weight 451.0), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 42399-54-2
Its molecular formula C22H27ClN2O4S comprises 22 C, 27 H, 1 Cl, 2 N, 4 O, 1 S atoms.
Also known as: (2R-cis)-3-acetoxy-5-[2-(dimethylamino)ethyl]-2,3-dihydro-2-(4-methoxyphenyl)-1,5-benzothiazepin-4(5H)-one monohydrochloride · （R，R）-盐酸地尔硫卓
Category: organic chemicals
The CAS registry number of (2R-cis)-3-acetoxy-5-[2-(dimethylamino)ethyl]-2,3-dihydro-2-(4-methoxyphenyl)-1,5-benzothiazepin-4(5H)-one monohydrochloride is 42399-54-2.
Molecular formula C22H27ClN2O4S, molecular weight 451.0.
It is also registered under: (2R-cis)-3-acetoxy-5-[2-(dimethylamino)ethyl]-2,3-dihydro-2-(4-methoxyphenyl)-1,5-benzothiazepin-4(5H)-one monohydrochloride, （R，R）-盐酸地尔硫卓.
Category: Organic Chemicals.
Independent reference data for (2R-cis)-3-acetoxy-5-[2-(dimethylamino)ethyl]-2,3-dihydro-2-(4-methoxyphenyl)-1,5-benzothiazepin-4(5H)-one monohydrochloride (CAS 42399-54-2), compiled from public chemistry databases.
| CAS 号 | 42399-54-2 |
|---|---|
| PubChem CID | 198106 |
| 分子式 | C22H27ClN2O4S |
| IUPAC 名称 | [(2R,3R)-5-[2-(dimethylamino)ethyl]-2-(4-methoxyphenyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-3-yl] acetate;hydrochloride |
| UNII（FDA） | NS00088144 |
| Molecular Weight | 451.0 |
|---|---|
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 7 |
| Exact Mass | 450.1380062 |
| Monoisotopic Mass | 450.1380062 |
| Topological Polar Surface Area | 84.4 |
| Heavy Atom Count | 30 |
42399-54-2; RefChem:1053414; 255-802-5; ent-diltiazem hydrochloride; (R,R)-Diltiazem Hydrochloride; 31953-18-1; EINECS 250-872-3; l-cis-diltiazem hydrochloride; (-)-cis-diltiazem hydrochloride; ent-diltiazem HCl; EINECS 255-802-5; l-cis-diltiazem HCl; (-)-cis-diltiazem HCl; SCHEMBL2365380; SCHEMBL30490635; CHEBI:82817
（R，R）-盐酸地尔硫卓 · CAS 42399-54-2 · C22H27ClN2O4S. UNII NS00088144.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: （R，R）-盐酸地尔硫卓