11-piperazynil-dibenzo[b,f][1,4]thiazepine 2HCl (CAS 111974-74-4) — formula C17H19Cl2N3S, molecular weight 368.3; category organic chemicals.
| CAS Number | 111974-74-4 |
|---|---|
| Molecular Formula | C17H19Cl2N3S |
| Molecular Weight | 368.3 |
| Category | Organic Chemicals |
11-piperazynil-dibenzo[b,f][1,4]thiazepine 2HCl is a carbon-based organic compound with CAS registry number 111974-74-4 and molecular formula C17H19Cl2N3S (molecular weight 368.3), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 111974-74-4
Its molecular formula C17H19Cl2N3S comprises 17 C, 19 H, 2 Cl, 3 N, 1 S atoms.
Also known as: 11-piperazynil-dibenzo[b,f][1,4]thiazepine 2HCl · 11-哌嗪基-二苯并[b,f][1,4]硫氮杂 2HCl
Category: organic chemicals
The CAS registry number of 11-piperazynil-dibenzo[b,f][1,4]thiazepine 2HCl is 111974-74-4.
Molecular formula C17H19Cl2N3S, molecular weight 368.3.
It is also registered under: 11-piperazynil-dibenzo[b,f][1,4]thiazepine 2HCl, 11-哌嗪基-二苯并[b,f][1,4]硫氮杂 2HCl.
Category: Organic Chemicals.
Independent reference data for 11-piperazynil-dibenzo[b,f][1,4]thiazepine 2HCl (CAS 111974-74-4), compiled from public chemistry databases.
| CAS Registry Number | 111974-74-4 |
|---|---|
| PubChem CID | 19842188 |
| Molecular formula | C17H19Cl2N3S |
| IUPAC name | 6-piperazin-1-ylbenzo[b][1,4]benzothiazepine;dihydrochloride |
| UNII (FDA) | 7VJ4TC63IL |
| Molecular Weight | 368.3 |
|---|---|
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 1 |
| Exact Mass | 367.0676742 |
| Monoisotopic Mass | 367.0676742 |
| Topological Polar Surface Area | 52.9 |
| Heavy Atom Count | 23 |
111974-74-4; Norquetiapine dihydrochloride; 7VJ4TC63IL; 11-Piperazin-1-yldibenzo(b,f)(1,4)thiazepine dihydrochloride; EC 700-276-9; 11-piperazin-1-yldibenzo[b,f][1,4]thiazepine dihydrochloride; RefChem:854750; 10-(Piperazin-1-yl)-2-thia-9-azatricyclo(9.4.0.0^(3,8))pentadeca-1(15),3,5,7,9,11,13-heptaene dihydrochloride; 700-276-9; 11-(1-Piperazinyl)-dibenzo[b,f][1,4]thiazepine dihydrochloride; Norquetiapine 2HCl; 11-Piperazinodibenzo[b,f][1,4]thiazepine dihydrochloride; MFCD08703302; 11-(Piperazin-1-yl)dibenzo[b,f][1,4]thiazepine dihydrochloride; C17H19Cl2N3S; 11-Piperazin-1-yl-dibenzo[b,f][1,4]thiazepine dihydrochloride
| GHS notification summary | 25% (2 / 8) |
|---|
| GHS notification summary | 25% (2 / 8) |
|---|---|
| Reported hazard statements | H302 (62.5%), H312 (37.5%), H316 (12.5%), H320 (12.5%), H332 (37.5%), H413 (12.5%) |
This chemical does not meet GHS hazard criteria for 25% (2 of 8) of reports.
H302 (62.5%): Harmful if swallowed [Warning Acute toxicity, oral]
11-piperazynil-dibenzo[b,f][1,4]thiazepine 2HCl · CAS 111974-74-4 · C17H19Cl2N3S. UNII 7VJ4TC63IL.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.