Molecule structure of Adanton hydrochloride (CAS NO.1225-60-1):
IUPAC Name: N,N-Dimethyl-1-pyrido[3,2-b][1,4]benzothiazin-10-ylpropan-2-amine hydrochloride
Molecular Weight: 321.8681 g/mol
Molecular Formula: C16H20ClN3S
Boiling Point: 421.3 °C at 760 mmHg
Flash Point: 208.6 °C
Enthalpy of Vaporization: 67.53 kJ/mol
Vapour Pressure: 2.63E-07 mmHg at 25 °C
H-Bond Donor: 1
H-Bond Acceptor: 3
Rotatable Bond Count: 3
Exact Mass: 321.106646
MonoIsotopic Mass: 321.106646
Topological Polar Surface Area: 19.4
Heavy Atom Count: 21
Complexity: 323
Canonical SMILES: CC(CN1C2=CC=CC=C2SC3=C1N=CC=C3)N(C)C.Cl
InChI: InChI=1S/C16H19N3S.ClH/c1-12(18(2)3)11-19-13-7-4-5-8-14(13)20-15-9-6-10-17-16(15)19;/h4-10,12H,11H2,1-3H3;1H
InChIKey: RQHCFTORMXCNGP-UHFFFAOYSA-N
EINECS: 214-957-9
1. | orl-rat LD50:1220 mg/kg | NIIRDN Drugs in Japan. Ethical Drugs. 6 (1982),72. | ||
2. | orl-mus LD50:222 mg/kg | ARZNAD Arzneimittel-Forschung. Drug Research. 8 (1958),489. | ||
3. | ipr-mus LD50:65 mg/kg | ARZNAD Arzneimittel-Forschung. Drug Research. 18 (1968),435. |
Poison by ingestion and intraperitoneal routes. When heated to decomposition it emits toxic fumes of NOx, SOx, and HCl.
Adanton hydrochloride (CAS NO.1225-60-1) is also named as 10-(2-Dimethylamino-2-methylethyl)-10H-pyrido(3,2-
b)(1,4)benzothiazine hydrochloride ; 10-(2-Dimethylaminopropyl)-(1)-4-azaphenthiazin hydrochlorid ; 10-(2-Dimethylaminopropyl)-(1)-4-azaphenthiazin hydrochlorid [German] ; 10-(2-Dimethylaminopropyl)-1-azaphenothiazine hydrochloride ; 10-(2-Dimethylaminopropyl)-10H-pyrido(3,2-b)(1,4)benzothiazine hydrochloride ; 10-(2-Dimethylaminopropyl)-9-thia-1,10-diazaanthracene hydrochloride ; 10H-Pyrido(3,2-b)(1,4)benzothiazine, 10-(2-(dimethylamino)propyl)-, monohydrochloride ; Adantol ; Andantol ; Dimethylamino-isopropyl-thiophenyl-pyridylamin hydrochlorid ; Dimethylamino-isopropyl-thiophenyl-pyridylamin hydrochlorid [German] ; Isothipendyl HCl ; Isothipendyl hydrochloride ; Isothipendyl monohydrochloride ; N-Dimethylaminoisopropylthiophenylpyridylamine hydrochloride ; NSC 169186 ; Nilergex hydrochloride ; Theruhistin ; Theruhistin hydrochloride ; UNII-953AP1LBV8 ; Udantol hydrochloride . Adanton hydrochloride (CAS NO.1225-60-1) is highly toxic. It is flammable. It will produce toxic nitrogen oxide, hydrogen chloride and sulfur oxide fumes when buring. So the storage environment should be ventilate, low-temperature and dry. Keep Adanton hydrochloride (CAS NO.1225-60-1) separate from raw materials of food.
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