Deacetyldiltiazem (CAS 42399-40-6) — formula C20H24N2O3S, molecular weight 372.5; category organic chemicals.
| CAS Number | 42399-40-6 |
|---|---|
| Molecular Formula | C20H24N2O3S |
| Molecular Weight | 372.5 |
| LogP | 2.5 |
| Category | Organic Chemicals |
Deacetyldiltiazem is a carbon-based organic compound with CAS registry number 42399-40-6 and molecular formula C20H24N2O3S (molecular weight 372.5), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 42399-40-6
Its molecular formula C20H24N2O3S comprises 20 C, 24 H, 2 N, 3 O, 1 S atoms.
Also known as: Deacetyldiltiazem · 去乙酰地尔硫卓（游离态）
Category: organic chemicals
The CAS registry number of Deacetyldiltiazem is 42399-40-6.
Molecular formula C20H24N2O3S, molecular weight 372.5.
It is also registered under: Deacetyldiltiazem, 去乙酰地尔硫卓（游离态）.
Category: Organic Chemicals.
Independent reference data for Deacetyldiltiazem (CAS 42399-40-6), compiled from public chemistry databases.
| CAS 号 | 42399-40-6 |
|---|---|
| PubChem CID | 91638 |
| 分子式 | C20H24N2O3S |
| IUPAC 名称 | (2S,3S)-5-[2-(dimethylamino)ethyl]-3-hydroxy-2-(4-methoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4-one |
| UNII（FDA） | 849UT193YJ |
| Molecular Weight | 372.5 |
|---|---|
| XLogP3 | 2.5 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 5 |
| Exact Mass | 372.15076381 |
| Monoisotopic Mass | 372.15076381 |
| Topological Polar Surface Area | 78.3 |
| Heavy Atom Count | 26 |
Deacetyldiltiazem; 42399-40-6; DESACETYLDILTIAZEM; 849UT193YJ; (2S,3S)-5-[2-(dimethylamino)ethyl]-3-hydroxy-2-(4-methoxyphenyl)-2,3,4,5-tetrahydro-1,5-benzothiazepin-4-one; (2S,3S)-5-(2-(dimethylamino)ethyl)-3-hydroxy-2-(4-methoxyphenyl)-2,3,4,5-tetrahydro-1,5-benzothiazepin-4-one; RefChem:585246; 255-795-9; Desacetyl Diltiazem; Deacetyl-d-diltiazem; (2S,3S)-5-(2-(Dimethylamino)ethyl)-3-hydroxy-2-(4-methoxyphenyl)-2,3-dihydrobenzo[b][1,4]thiazepin-4(5H)-one; (2S,3S)-5-[2-(dimethylamino)ethyl]-3-hydroxy-2-(4-methoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4(5H)-one; (2S-cis)-5-(2-(Dimethylamino)ethyl)-2,3-dihydro-3-hydroxy-2-(4-methoxyphenyl)-1,5-benzothiazepin-4(5H)-one; Desacetyl Diltiazem D4; (2S,3S)-5-[2-(dimethylamino)ethyl]-3-hydroxy-2-(4-methoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4-one; Diltiazem EP Impurity F
| 已通报的危害声明 | H302 (100%), H320 (50%), H361 (25%) |
|---|
去乙酰地尔硫卓（游离态） · CAS 42399-40-6 · C20H24N2O3S. UNII 849UT193YJ.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 去乙酰地尔硫卓（游离态）