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5-{[5-(ethoxycarbonyl)-5-methyl-2-oxo-1-phenyl-2,5-dihydro-1H-pyrrol-3-yl]amino}-2-hydroxybenzoic acid

HCID 3758293
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Basic informationNames & identifiersPropertiesChemistry & industryRelated reactionsCompound notes
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Basic information

CAS
6167-23-3
Standard SMILES
CCOC(=O)C1(C)C=C(Nc2ccc(O)c(C(=O)O)c2)C(=O)N1c1ccccc1
InChIKey
WMOMGLBWBZGINA-UHFFFAOYSA-N
Molecular formula
C21H20N2O6
Average molar mass
396.4 g/mol
Monoisotopic mass
396.13213636

Names & identifiers

Preferred name
5-{[5-(ethoxycarbonyl)-5-methyl-2-oxo-1-phenyl-2,5-dihydro-1H-pyrrol-3-yl]amino}-2-hydroxybenzoic acid
IUPAC
5-[(5-ethoxycarbonyl-5-methyl-2-oxo-1-phenylpyrrol-3-yl)amino]-2-hydroxybenzoic acid
English name
Nilutamide EP Impuirty D
Molecular formula
C15H8F6N4O5
Molecular weight
438.24

Names & synonyms

5-{[5-(ethoxycarbonyl)-5-methyl-2-oxo-1-phenyl-2,5-dihydro-1H-pyrrol-3-yl]amino}-2-hydroxybenzoic acidCBMicro_0129385-((5-(ethoxycarbonyl)-5-methyl-2-oxo-1-phenyl-2,5-dihydro-1H-pyrrol-3-yl)amino)-2-hydroxybenzoic acidDTXSID80396019HMS3429P07SMSF0016099STK998822AKOS001668681AKOS021627283CB01667BIM-0012939.P001AF-407/33878031
Show more names
Nilutamide EP Impuirty DUrea, N,N'-bis[4-nitro-3-(trifluoromethyl)phenyl]-5-[(5-ethoxycarbonyl-5-methyl-2-oxo-1-phenylpyrrol-3-yl)amino]-2-hydroxybenzoicacidNilutamide EP Impurity DQ: What is Nilutamide EP Impurity D Q: What is the CAS Number of Nilutamide EP Impurity D Q: What is the storage condition of Nilutamide EP Impurity D Q: What are the applications of Nilutamide EP Impurity D
SR-01000084142SR-01000084142-1

Properties

Computed structural properties

XLogP
3.5
Topological polar surface area
116 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
7
Rotatable bonds
7
Heavy atoms
29
Formal charge
0
Complexity
687

Physicochemical properties

Melting point
273 · 273-274 °C(Solv: methanol (67-56-1))
Boiling point
419.7 · 419.7±45.0 °C(Predicted)
Density
1.681 · 1.681±0.06 g/cm3(Predicted)
pka
11.89 · 11.89±0.70(Predicted)
FDA UNII
7 UYX582JC6 · 7UYX582JC6

Chemistry & industry

Suppliers3 total

孟成科技(上海)有限公司400-820-6829 · [email protected]
梯希爱(上海)化工贸易有限公司021-61109150 · [email protected]
sgtlifesciences pvt ltd+91-8790379245 · [email protected]

Related reactions

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Compound notes

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On this pageBasic informationNames & identifiersPropertiesChemistry & industryRelated reactionsCompound notes

Database identifiers

CAS
6167-23-3
PubChem CID
3758293
DTXSID
DTXSID80396019