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CAS No.: | 101526-62-9 |
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Name: | Benzamide, N-(2-(diethylamino)ethyl)-4-((methylsulfonyl)amino)-, monoh ydrochloride |
Article Data: | 3 |
Molecular Structure: | |
Formula: | C14H23N3O3S.ClH |
Molecular Weight: | 349.882 |
Synonyms: | Benzamide,N-[2-(diethylamino)ethyl]-4-[(methylsulfonyl)amino]-, monohydrochloride (9CI);CK 1752A;Sematilide hydrochloride;N-(2-(Diethylamino)ethyl)-p-methanesulfonamidobenzamide monohydrochloride;Sematilide HCl;N-[2-(diethylamino)ethyl]-4-[(methylsulfonyl)amino]benzamide hydrochloride (1:1); |
Melting Point: | 141-142° (Lumma); mp 137° and mp 142° (Argentieri) |
Boiling Point: | 511.9 °C at 760 mmHg |
Flash Point: | 263.4 °C |
PSA: | 86.89000 |
LogP: | 3.47640 |
1-[4-[(methyl-sulfonyl)amino]benzoyl]aziridine
diethylamine
N-[2-(diethylamino)ethyl]-4-[(methylsulfonyl)amino]benzamide hydrochloride
Conditions | Yield |
---|---|
In isopropyl alcohol; acetonitrile |
4-[(methyl-sulfonyl)amino]benzoyl chloride
N,N-diethylethylenediamine
N-[2-(diethylamino)ethyl]-4-[(methylsulfonyl)amino]benzamide hydrochloride
Conditions | Yield |
---|---|
In tetrahydrofuran; methanol; acetone | |
In tetrahydrofuran; methanol; acetone |
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The CAS registry number of Benzamide,N-[2-(diethylamino)ethyl]-4-[(methylsulfonyl)amino]-,hydrochloride (1:1) is 101526-62-9. The IUPAC name is N-[2-(diethylamino)ethyl]-4-(methanesulfonamido)benzamide. In addition, the molecular formula is C14H23N3O3S.ClH and the molecular weight is 349.88. It belongs to the classes of Anti-arrhythmia agents; Cardiac depressant; Cardiovascular Agents; Drug/Therapeutic Agent. What's more, the storage temperature is 2-8 °C.
Physical properties about Benzamide,N-[2-(diethylamino)ethyl]-4-[(methylsulfonyl)amino]-,hydrochloride (1:1) are: (1)ACD/LogP: 1.15; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.92; (4)ACD/LogD (pH 7.4): -1.13; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 6; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 7; (12)Polar Surface Area: 69.31 Å2; (13)Flash Point: 263.4 °C; (14)Enthalpy of Vaporization: 79.78 kJ/mol; (15)Boiling Point: 511.9 °C at 760 mmHg; (16)Vapour Pressure: 7.59E-11 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=S(=O)(Nc1ccc(cc1)C(=O)NCCN(CC)CC)C.Cl
(2)InChI: InChI=1/C14H23N3O3S.ClH/c1-4-17(5-2)11-10-15-14(18)12-6-8-13(9-7-12)16-21(3,19)20;/h6-9,16H,4-5,10-11H2,1-3H3,(H,15,18);1H
(3)InChIKey: OKXAJGDKHKNFAX-UHFFFAOYAU
The toxicity data is as follows:
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
dog | LD50 | intravenous | 143mg/kg (143mg/kg) | BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD BEHAVIORAL: ATAXIA LUNGS, THORAX, OR RESPIRATION: DYSPNEA | Cardiovascular Drug Reviews. Vol. 10, Pg. 182, 1992. |
dog | LD50 | oral | 500mg/kg (500mg/kg) | BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD BEHAVIORAL: ATAXIA LUNGS, THORAX, OR RESPIRATION: DYSPNEA | Cardiovascular Drug Reviews. Vol. 10, Pg. 182, 1992. |
mouse | LD50 | intravenous | 96mg/kg (96mg/kg) | BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD BEHAVIORAL: ATAXIA LUNGS, THORAX, OR RESPIRATION: DYSPNEA | Cardiovascular Drug Reviews. Vol. 10, Pg. 182, 1992. |
mouse | LD50 | oral | 1800mg/kg (1800mg/kg) | BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD BEHAVIORAL: ATAXIA LUNGS, THORAX, OR RESPIRATION: DYSPNEA | Cardiovascular Drug Reviews. Vol. 10, Pg. 182, 1992. |
rat | LD50 | intravenous | 92mg/kg (92mg/kg) | BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD BEHAVIORAL: ATAXIA LUNGS, THORAX, OR RESPIRATION: DYSPNEA | Cardiovascular Drug Reviews. Vol. 10, Pg. 182, 1992. |
rat | LD50 | oral | 3200mg/kg (3200mg/kg) | BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD BEHAVIORAL: ATAXIA LUNGS, THORAX, OR RESPIRATION: DYSPNEA | Cardiovascular Drug Reviews. Vol. 10, Pg. 182, 1992. |