Basic Information | Post buying leads | Suppliers |
Name |
4-((5-Chloro-2-oxo-3(2H)-benzothiazol-yl) acetyl)-1-piperazineethanol hydrochloride |
EINECS | N/A |
CAS No. | 35941-71-0 | Density | g/cm3 |
PSA | 94.02000 | LogP | 1.53070 |
Solubility | Completely soluble in water | Melting Point |
159-161° |
Formula | C15H18 Cl N3 O3 S . Cl H | Boiling Point | 605.8°Cat760mmHg |
Molecular Weight | 392.33 | Flash Point | 320.2°C |
Transport Information | N/A | Appearance | N/A |
Safety | Poison by subcutaneous, intravenous, and intraperitoneal routes. Moderately toxic by ingestion. An experimental teratogen. An eye irritant. When heated to decomposition it emits very toxic fumes of Cl−, NOx, and SOx. | Risk Codes | N/A |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
1-Piperazineethanol,4-[(5-chloro-2-oxo-3(2H)-benzothiazolyl)acetyl]-, monohydrochloride (9CI); FK1160; NTA 194; RHC 2592; Solantal; Tiaramide hydrochloride |
Molecule structure of 4-((5-Chloro-2-oxo-3(2H)-benzothiazol-yl) acetyl)-1-piperazineethanol hydrochloride (CAS NO.35941-71-0) :
IUPAC Name: 5-chloro-3-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoethyl]-1,3-benzothiazol-2-one hydrochloride
Molecular Weight: 392.30066 g/mol
Molecular Formula: C15H19Cl2N3O3S
Boiling Point: 605.8 °C at 760 mmHg
Flash Point: 320.2 °C
Enthalpy of Vaporization: 94.7 kJ/mol
Vapour Pressure: 1.58E-15 mmHg at 25 °C
H-Bond Donor: 2
H-Bond Acceptor: 4
Rotatable Bond Count: 4
Exact Mass: 391.052418
MonoIsotopic Mass: 391.052418
Topological Polar Surface Area: 64.1
Heavy Atom Count: 24
Complexity: 459
Canonical SMILES: C1CN(CCN1CCO)C(=O)CN2C3=C(C=CC(=C3)Cl)SC2=O.Cl
InChI: InChI=1S/C15H18ClN3O3S.ClH/c16-11-1-2-13-12(9-11)19(15(22)23-13)10-14(21)18-5-3-17(4-6-18)7-8-20;/h1-2,9,20H,3-8,10H2;1H
InChIKey: UKNGDQSYPNBJAO-UHFFFAOYSA-N
EINECS of 4-((5-Chloro-2-oxo-3(2H)-benzothiazol-yl) acetyl)-1-piperazineethanol hydrochloride (CAS NO.35941-71-0) : 252-802-7
1. | eye-rbt 200 mg rns MLD | ARZNAD Arzneimittel-Forschung. Drug Research. 22 (1972),724. | ||
2. | orl-rat LD50:2300 mg/kg | ARZNAD Arzneimittel-Forschung. Drug Research. 32 (1982),225. | ||
3. | ipr-rat LD50:530 mg/kg | NIIRDN “Drugs in Japan. Ethical Drugs, 6th Edition 1982“ Edited by Japan Pharmaceutical Information Center. 6 (1982),451. | ||
4. | scu-rat LD50:930 mg/kg | ARZNAD Arzneimittel-Forschung. Drug Research. 23 (1973),504. | ||
5. | ivn-rat LD50:203 mg/kg | ARZNAD Arzneimittel-Forschung. Drug Research. 23 (1973),504. | ||
6. | orl-mus LD50:564 mg/kg | ARZNAD Arzneimittel-Forschung. Drug Research. 23 (1973),504. | ||
7. | ipr-mus LD50:298 mg/kg | ARZNAD Arzneimittel-Forschung. Drug Research. 23 (1973),504. | ||
8. | scu-mus LD50:375 mg/kg | ARZNAD Arzneimittel-Forschung. Drug Research. 23 (1973),504. | ||
9. | ivn-mus LD50:178 mg/kg | ARZNAD Arzneimittel-Forschung. Drug Research. 23 (1973),504. |
Poison by subcutaneous, intravenous, and intraperitoneal routes. Moderately toxic by ingestion. An experimental teratogen. An eye irritant. When heated to decomposition it emits very toxic fumes of Cl−, NOx, and SOx.
4-((5-Chloro-2-oxo-3(2H)-benzothiazol-yl) acetyl)-1-piperazineethanol hydrochloride (CAS NO.35941-71-0) is also called 2-Benzothiazolinone, 5-chloro-3-(4-(2-hydroxyethyl)-1-piperazinyl)carbonylmethyl-, HCl ; 4-((5-Chloro-2-oxo-3-benzothiazolinyl)acetyl)-1-piperazineethanol monohydrochloride ; 5-Chloro-3-(4-(2-hydroxyethyl)-1-piperazinyl)carbonylmethyl-2-benzothiazolinone hydrochloride ; FK 1160 ; NSC 289337 ; NTA-194 ; Solantal ; Thiaramide [German] ; Tiaramide HCl ; Tiaramide hydrochloride ; Tiaramide hydrochloride-r ; USV 2592 HCl ; Ventaval tabletten . 4-((5-Chloro-2-oxo-3(2H)-benzothiazol-yl) acetyl)-1-piperazineethanol hydrochloride (CAS NO.35941-71-0) is moderate toxic. It is flammable. It will produce toxic chloride, sulfur oxide and nitrogen oxide gaseswhen buring. So the storage environment should be ventilate, low-temperature and dry.