N-monodemethyldiltiazem (CAS 85100-17-0) — formula C21H24N2O4S, molecular weight 400.5; category organic chemicals.
| CAS Number | 85100-17-0 |
|---|---|
| Molecular Formula | C21H24N2O4S |
| Molecular Weight | 400.5 |
| LogP | 2.6 |
| Category | Organic Chemicals |
N-monodemethyldiltiazem is a carbon-based organic compound with CAS registry number 85100-17-0 and molecular formula C21H24N2O4S (molecular weight 400.5), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 85100-17-0
Its molecular formula C21H24N2O4S comprises 21 C, 24 H, 2 N, 4 O, 1 S atoms.
Also known as: N-monodemethyldiltiazem · N-去甲基地尔硫卓盐酸盐
Category: organic chemicals
The CAS registry number of N-monodemethyldiltiazem is 85100-17-0.
Molecular formula C21H24N2O4S, molecular weight 400.5.
It is also registered under: N-monodemethyldiltiazem, N-去甲基地尔硫卓盐酸盐.
Category: Organic Chemicals.
Independent reference data for N-monodemethyldiltiazem (CAS 85100-17-0), compiled from public chemistry databases.
| CAS 号 | 85100-17-0 |
|---|---|
| PubChem CID | 107891 |
| 分子式 | C21H24N2O4S |
| IUPAC 名称 | [(2S,3S)-2-(4-methoxyphenyl)-5-[2-(methylamino)ethyl]-4-oxo-2,3-dihydro-1,5-benzothiazepin-3-yl] acetate |
| UNII（FDA） | IF0841K5LK |
| Molecular Weight | 400.5 |
|---|---|
| XLogP3 | 2.6 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 7 |
| Exact Mass | 400.14567842 |
| Monoisotopic Mass | 400.14567842 |
| Topological Polar Surface Area | 93.2 |
| Heavy Atom Count | 28 |
N-Demethyldiltiazem; N-Desmethyldiltiazem; 86408-45-9; 85100-17-0; N-Monodemethyldiltiazem; [(2S,3S)-2-(4-methoxyphenyl)-5-[2-(methylamino)ethyl]-4-oxo-2,3-dihydro-1,5-benzothiazepin-3-yl] acetate; N-Monodesmethyldiltiazem; IF0841K5LK; cis-3-(Acetyloxy)-2,3-dihydro-2-(4-methoxyphenyl)-5-(2-(methylamino)ethyl)-1,5-benzothiazepin-4(5H)-one; Diltiazem Impurity; (2S,3S)-2-(4-methoxyphenyl)-5-[2-(methylamino)ethyl]-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepin-3-yl acetate; Nordiltiazem; desmethyl diltiazem; Cis-2-(4-methoxyphenyl)-5-(2-(methylamino)ethyl)-4-oxo-2,3,4,5-tetrahydrobenzo[b][1,4]thiazepin-3-yl acetate; UNII-IF0841K5LK; orb2814860
N-去甲基地尔硫卓盐酸盐 · CAS 85100-17-0 · C21H24N2O4S. UNII IF0841K5LK.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: N-去甲基地尔硫卓盐酸盐