Molecule structure of Ethmosine (CAS NO.29560-58-5) :
IUPAC Name: ethyl N-[10-(3-morpholin-4-ylpropanoyl)phenothiazin-2-yl]carbamate hydrochloride
Molecular Weight: 463.97754 g/mol
Molecular Formula: C22H26ClN3O4S
Boiling Point: 625 °C at 760 mmHg
Flash Point: 331.8 °C
Enthalpy of Vaporization: 92.54 kJ/mol
Vapour Pressure: 1.54E-15 mmHg at 25 °C
H-Bond Donor: 2
H-Bond Acceptor: 5
Rotatable Bond Count: 6
Tautomer Count: 2
Exact Mass: 463.133255
MonoIsotopic Mass: 463.133255
Topological Polar Surface Area: 71.1
Heavy Atom Count: 31
Complexity: 601
Canonical SMILES: CCOC(=O)NC1=CC2=C(C=C1)SC3=CC=CC=C3N2C(=O)CCN4CCOCC4.Cl
InChI: InChI=1S/C22H25N3O4S.ClH/c1-2-29-22(27)23-16-7-8-20-18(15-16)25(17-5-3-4-6-19(17)30-20)21(26)9-10-24-11-13-28-14-12-24;/h3-8,15H,2,9-14H2,1H3,(H,23,27);1H
InChIKey of Ethmosine (CAS NO.29560-58-5) : GAQAKFHSULJNAK-UHFFFAOYSA-N
1. | orl-rat LD50:1 g/kg | FATOAO Farmakologiya i Toksikologiya (Moscow). 53 (3)(1990),30. | ||
2. | ipr-rat LD50:105 mg/kg | FATOAO Farmakologiya i Toksikologiya (Moscow). 48 (1)(1985),60. | ||
3. | ivn-rat LD50:11 mg/kg | FATOAO Farmakologiya i Toksikologiya (Moscow). 53 (3)(1990),30. | ||
4. | ipr-mus LD50:131 mg/kg | RPTOAN Russian Pharmacology and Toxicology. Translation of FATOAO. 35 (1972),74. | ||
5. | ivn-mus LD50:36 mg/kg | RPTOAN Russian Pharmacology and Toxicology. Translation of FATOAO. 35 (1972),74. |
Reported in EPA TSCA Inventory.
Poison by intravenous and intraperitoneal routes. An antiarrhythmic and tranquilizer. When heated to decomposition it emits toxic fumes of SOx, NOx and HCl. See also CARBAMATES.
Ethmosine (CAS NO.29560-58-5) is also called (10-(3-(4-Morpholinyl)-1-oxopropyl)-10H-phenothiazin-2-yl)carbamic
acid, ethyl ester, monohydrochloride ; Carbamic acid, (10-(3-(4-morpholinyl)-l-oxopropyl)-10H-phenothiazin-
2yl)-, ethyl ester, hydrochloride ; EN 313 ; Ethmozine ; Ethyl 10-(3-morpholinopropionyl)phenothiazine-2-carbamate
hydrochloride ; Ethyl 10-(beta-N-morpholinylpropionyl)phenothiazine-2-carbamate hydrochloride ; Ethyl ether of 10-(beta-morpholylpropionyl)phenthiazinecarbamino acid hydrochloride ; Moricizine HCl ; Moricizine hydrochloride ; UNII-71OK3Z1ESP .
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