3-Pyridinecarboxylic acid, 2-(diethylamino)ethyl ester, 2-hydroxy-1,2,3-propanetricarboxylate (1:1)
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3-Pyridinecarboxylic acid, 2-(diethylamino)ethyl ester, 2-hydroxy-1,2,3-propanetricarboxylate (1:1)
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CAS No:
1641-74-3
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Formula:
C12H18N2O2.C6H8O7
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Chemical Name:
3-Pyridinecarboxylic acid, 2-(diethylamino)ethyl ester, 2-hydroxy-1,2,3-propanetricarboxylate (1:1)
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Synonyms:
3-Pyridinecarboxylic acid,2-(diethylamino)ethyl ester,2-hydroxy-1,2,3-propanetricarboxylate (1:1);Nicotinic acid,2-(diethylamino)ethyl ester,citrate (1:1);53-11 C;2-Diethylaminoethyl nicotinate citrate;Euclidan;3-Diethylaminoethoxycarbonylpyridine citrate;Provasan;Nicametate dihydrogen citrate;Eucast;Soclidan;Nicametate citrate;Nutrin;NSC 169477;2-(Diethylamino)ethyl nicotinate 2-hydroxypropane-1,2,3-tricarboxylate
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CAS No:
3-Pyridinecarboxylic acid, 2-(diethylamino)ethyl ester, 2-hydroxy-1,2,3-propanetricarboxylate (1:1) Basic Attributes
414.41
414.163818
216-694-5
1S708RDJ0V
169477
DTXSID4046733
2933399090
Characteristics
175
0.33170
White crystal power
123 °C
311.9ºC at 760 mmHg
142.4ºC
0.000548mmHg at 25°C
LD50 oral in rat: 8400mg/kg
Safety Information
P261, P272, P280, P285, P302+P352, P304+P341, P321, P333+P313, P342+P311, P363, P501
H317
|Danger|H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]|P261, P272, P280, P285, P302+P352, P304+P341, P321, P333+P313, P342+P311, P363, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Drug Information
Drugs used to cause dilation of the blood vessels. (See all compounds classified as Vasodilator Agents.)
2-(diethylaminoethyl)nicotinate citrate
Computed Properties
Molecular Weight:414.4
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:11
Rotatable Bond Count:12
Exact Mass:414.16383041
Monoisotopic Mass:414.16383041
Topological Polar Surface Area:175
Heavy Atom Count:29
Complexity:433
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes
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3-Pyridinecarboxylic acid, 2-(diethylamino)ethyl ester, 2-hydroxy-1,2,3-propanetricarboxylate (1:1)
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