Basic information
- CAS
16426-83-8- Standard SMILES
COc1ccc2c(c1)c(CC(=O)O)c(C)n2C(=O)c1cccnc1- InChIKey
DDQOEXWUZHRSOZ-UHFFFAOYSA-N- Molecular formula
- C18H16N2O4
- Average molar mass
- 324.3 g/mol
- Monoisotopic mass
- 324.111007
Names & identifiers
- Preferred name
- Niometacin
- IUPAC
- 2-[5-methoxy-2-methyl-1-(pyridine-3-carbonyl)indol-3-yl]acetic acid
- English name
- niometacin
- Molecular formula
- C18H16N2O4
- Molecular weight
- 324.33
Names & synonyms
Niometacin16426-83-8NiometacinaNiometacineNiometacin [INN]2-(5-Methoxy-2-methyl-1-nicotinoyl-1H-indol-3-yl)acetic acid6EYW73T7SG2-[5-methoxy-2-methyl-1-(pyridine-3-carbonyl)indol-3-yl]acetic acid2-[5-methoxy-2-methyl-1-(pyridine-3-carbonyl)-1H-indol-3-yl]acetic acid5-Methoxy-2-methyl-1-nicotinoylindole-3-acetic acidNiometacinumNiometacine [French]
Show more names
5-Methoxy-2-methyl-1-nicotinoyl-1H-indole-3-acetic acid1H-Indole-3-acetic acid, 5-methoxy-2-methyl-1-(3-pyridinylcarbonyl)-
Niometacinum [Latin]Niometacina [Spanish]Niometacine [INN-French]Niometacinum [INN-Latin]UNII-6EYW73T7SGNiometacina [INN-Spanish]EINECS 240-479-5SCHEMBL2010371
Database identifiers
- CAS
16426-83-8- PubChem CID
- 65627
- DTXSID
DTXSID70167735- ChEMBL
CHEMBL2105208- UNII
- 6EYW73T7SG
- EC Number
- 240-479-5
- Nikkaji
- J9.037I
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 81.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 484
Physicochemical properties
- Melting point
- 188 · 188-189 °C(Solv: acetone (67-64-1); water (7732-18-5))
- Boiling point
- 485.3 · 485.3±45.0 °C(Predicted)
- Density
- 1.3 · 1.30±0.1 g/cm3(Predicted)
- pka
- 3.93 · 3.93±0.30(Predicted)
- FDA UNII
- 6 EYW73T7SG · 6EYW73T7SG
Chemistry & industry
Suppliers3 total
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
赛纳斯特化学（欢迎点击联系）021-60343070
Alchem Pharmtech,Inc.8485655694 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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