3-Pyridinecarboxylic acid, 2-(diethylamino)ethyl ester, 2-hydroxy-1,2,3-propanetricarboxylate (1:1)
Basic information
- CAS
1641-74-3- Standard SMILES
CCN(CC)CCOC(=O)c1cccnc1.O=C(O)CC(O)(CC(=O)O)C(=O)O- InChIKey
IABBAGAOMDWOCW-UHFFFAOYSA-N- Molecular formula
- C18H26N2O9
- Average molar mass
- 414.4 g/mol
- Monoisotopic mass
- 414.16383041
Overview
Nicametate citrate is a member of pyridines and an aromatic carboxylic acid.
Names & identifiers
- Preferred name
- 3-Pyridinecarboxylic acid, 2-(diethylamino)ethyl ester, 2-hydroxy-1,2,3-propanetricarboxylate (1:1)
- IUPAC
- 2-(diethylamino)ethyl pyridine-3-carboxylate;2-hydroxypropane-1,2,3-tricarboxylic acid
- English name
- Nicametate citrate
- Molecular formula
- C18H26N2O9
- Molecular weight
- 414.41
Names & synonyms
Nicametate citrate1641-74-3SoclidanNicametate dihydrogen citrateDTXSID40467333-Pyridinecarboxylic acid, 2-(diethylamino)ethyl ester, 2-hydroxy-1,2,3-propanetricarboxylate (1:1)NUTRIN1S708RDJ0VNicotinic acid, 2-(diethylamino)ethyl ester, citrate (1:1)NSC-169477DTXCID2026733RefChem:165650
Show more names
3-Diethylaminoethoxycarbonylpyridine citrateNICOTINIC ACID 2-DIETHYLAMINO-ETHYL ESTER CITRATEdiethyl[2-(3-pyridiniocarbonyloxy)ethyl]ammonium hydrogen citrate2-(diethylamino)ethyl pyridine-3-carboxylate,2-hydroxypropane-1,2,3-tricarboxylic acid
216-694-52-(diethylaminoethyl)nicotinate citrateEuclidan2-(Diethylamino)ethyl nicotinate 2-hydroxypropane-1,2,3-tricarboxylateProvasanEucastManlateEuclidan, citrate
Database identifiers
- CAS
1641-74-3- PubChem CID
- 92897
- DTXSID
DTXSID4046733- ChEMBL
CHEMBL3188119- ChEBI
CHEBI:31901- UNII
- 1S708RDJ0V
- EC Number
- 216-694-5
Properties
Computed structural properties
- Topological polar surface area
- 175 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 12
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 433
Physicochemical properties
- Melting point
- 123 °C · 123 °C
- storage temp.
- 2 · 2-8°C
- CAS DataBase Reference
- 1641 · 1641-74-3
- FDA UNII
- 1 S708RDJ0V · 1S708RDJ0V
- Symbol(GHS)
- 8 · GHS08
- Signal word
- Danger
- Hazard statements
- 334 · H334-H317
- Precautionary statements
- 261 · P261-P285-P304+P341-P342+P311-P501-P261-P272-P280-P302+P352-P333+P313-P321-P363-P501
- Toxicity
- 50 oral · LD50 oral in rat: 8400mg/kg
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]
P233, P260, P261, P271, P272, P280, P284, P302+P352, P304+P340, P321, P333+P317, P342+P316, P362+P364, P403, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Sens. 1 (100%)
Safety data
- Toxicity
- LD50 oral in rat: 8400mg/kg
- Signal word
- Danger
- Symbol(GHS)
- GHS08
- Hazard statements
- H334-H317
- Precautionary statements
- P261-P285-P304+P341-P342+P311-P501-P261-P272-P280-P302+P352-P333+P313-P321-P363-P501
Chemistry & industry
Pharmacology
MeSH Pharmacological ClassificationDrugs used to cause dilation of the blood vessels.
Additional notes
DefinitionChEBI: Nicametate citrate is an aromatic carboxylic acid and a member of pyridines.
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