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| CAS No.: | 89591-51-5 |
|---|---|
| Name: | N-[2-(Diethylamino)ethyl]-4-(dimethylamino)-2-methoxy-5-nitrobenzaminde chlorohydrate |
| Molecular Structure: | |
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| Formula: | C16H26 N4 O4 . Cl H |
| Molecular Weight: | 374.87 |
| Synonyms: | Benzamide,N-[2-(diethylamino)ethyl]-4-(dimethylamino)-2-methoxy-5-nitro-,monohydrochloride (9CI); Dimethpramide; Dimetpramide |
| Boiling Point: | 468.8°C at 760 mmHg |
| Flash Point: | 237.3°C |
| Safety: | Poison by ingestion and intraperitoneal routes. An eye irritant. When heated to decomposition it emits toxic fumes of NOx and HCl. |
| PSA: | 94.12000 |
| LogP: | 3.64100 |
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- Total:3 Page 1 of 1 1
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Chemistry
Molecule structure of Dimethpramide (CAS NO.89591-51-5) :
IUPAC Name: 2-[[4-(dimethylamino)-2-methoxy-5-nitrobenzoyl]amino]ethyl-diethylazanium chloride
Molecular Weight: 374.86298 g/mol
Molecular Formula: C16H27ClN4O4
Boiling Point: 468.8 °C at 760 mmHg
Flash Point: 237.3 °C
Enthalpy of Vaporization: 73.1 kJ/mol
Vapour Pressure: 5.82E-09 mmHg at 25 °C
H-Bond Donor: 2
H-Bond Acceptor: 6
Rotatable Bond Count: 8
Tautomer Count: 2
Exact Mass: 374.172083
MonoIsotopic Mass: 374.172083
Topological Polar Surface Area: 89.2
Heavy Atom Count: 25
Complexity: 409
Canonical SMILES: CC[NH+](CC)CCNC(=O)C1=CC(=C(C=C1OC)N(C)C)[N+](=O)[O-].[Cl-]
InChI: InChI=1S/C16H26N4O4.ClH/c1-6-19(7-2)9-8-17-16(21)12-10-14(20(22)23)13(18(3)4)11-15(12)24-5;/h10-11H,6-9H2,1-5H3,(H,17,21);1H
InChIKey of Dimethpramide (CAS NO.89591-51-5) : CUHDCJWCMZTSQV-UHFFFAOYSA-N
Toxicity Data With Reference
| 1. | eye-rbt 500 mg MLD | RPTOAN Russian Pharmacology and Toxicology. Translation of FATOAO. 48 (1985),201. | ||
| 2. | orl-rat LD50:856 mg/kg | RPTOAN Russian Pharmacology and Toxicology. Translation of FATOAO. 48 (1985),201. | ||
| 3. | orl-mus LD50:230 mg/kg | RPTOAN Russian Pharmacology and Toxicology. Translation of FATOAO. 48 (1985),201. | ||
| 4. | ipr-mus LD50:159 mg/kg | RPTOAN Russian Pharmacology and Toxicology. Translation of FATOAO. 48 (1985),201. | ||
| 5. | orl-gpg LD50:636 mg/kg | RPTOAN Russian Pharmacology and Toxicology. Translation of FATOAO. 48 (1985),201. |
Safety Profile
Poison by ingestion and intraperitoneal routes. An eye irritant. When heated to decomposition it emits toxic fumes of NOx and HCl.
Specification
Dimethpramide (CAS NO.89591-51-5) is also called 4-Dimethylamino-5-nitro-2-methoxy-N-(2-diethylaminoethyl) benzamide hydrochloride ; Dimetpramide ; N-(2-(Diethylamino)ethyl)-4-(dimethylamino)-2-methoxy-5-nitrobenzamide monohydrochloride ; Benzamide, N-(2-(diethylamino)ethyl)-4-(dimethylamino)-2-methoxy-5-nitro-, monohydrochloride .