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| CAS Number | 2139-47-1 |
| Catalog Number | AG007QN2(AGN-PC-0QXYVY) |
| Chemical Name | Nifenazone |
| EC Number | 218-387-1 |
| IUPAC Name | N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)pyridine-3-carboxamide |
| InChI | InChI=1S/C17H16N4O2/c1-12-15(19-16(22)13-7-6-10-18-11-13)17(23)21(20(12)2)14-8-4-3-5-9-14/h3-11H,1-2H3,(H,19,22) |
| InChI Key | BRZANEXCSZCZCI-UHFFFAOYSA-N |
| MDL Number | MFCD00214069 |
| Molecular Formula | C17H16N4O2 |
| Molecular Weight | 308.3345 |
| NSC Number | 758411 |
| SMILES | O=C(C1=CC=CN=C1)NC2=C(C)N(C)N(C3=CC=CC=C3)C2=O |
| UNII | 8780F0K71U |
| Synonyms | N-antipyrinylnicotinamide,
nicophezon,
Nicopyron,
nifenazone,
nifenazone dihydrochloride,
nikofezon,
nifenazone,
2139-47-1,
Niapyrin,
Nicazane,
Nicodone,
Nifenazon,
Nicofesone,
Nicophesone,
Nicophezon,
Nicotazone,
Nikofezon,
Phenicazone,
Thylin,
Nicopyron,
Nicoreumal,
Nicoron,
Nicozone,
Nikodon,
Anicotinoylantipyrine,
Nicotinoylaminoantipyrine,
N-Antipyrinylnicotinamide,
4-(Nicotinamido)antipyrine,
Nicotinamide, N-antipyrinyl-,
4-(Nicotinoylamino)antipyrine,
Nicotinic acid 4-antipyrilamide,
C17H16N4O2,
Nifenazone [INN:BAN],
Nifenazonum [INN-Latin],
Nifenazona [INN-Spanish],
Nicotinic acid, amidophenyldimethylpyrazolone,
UNII-8780F0K71U,
EINECS 218-387-1,
4-Nicotinoylamido-1-phenyl-2,3-dimethyl-5-pyrazolone,
8780F0K71U,
BRN 0307504,
Nicotinsaeureamidophenyldimethylpyrazolons,
NCGC00016605-01,
CAS-2139-47-1,
Nicotinamide, N-(2,3-dimethyl-5-oxo-1-phenyl-3-pyrazolin-4-yl)-,
N-(1,5-Dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)nicotinamide,
DSSTox_CID_25366,
DSSTox_RID_80829,
DSSTox_GSID_45366,
Nicotinsaeureamidophenyldimethylpyrazolons [German],
2,3-dimethyl-4-nicotinamido-1-phenyl-3-pyrazolin-5-on,
Niprazine,
N-(2,3-Dimethyl-5-oxo-1-phenyl-3-pyrazolin-4-yl)nicotinamid,
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)pyridine-3-carboxamide,
N-(2,3-Dihydro-1,5-dimethyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)-3-pyridinecarboxamide,
SR-01000632824,
Nifenazona,
Nifenazonum,
Dolongan,
Reupiron,
Nicotinoylantipyrine,
Prestwick_582,
Spectrum_001575,
Nifenazone (JAN/INN),
Prestwick0_000225,
Prestwick1_000225,
Prestwick2_000225,
Prestwick3_000225,
Spectrum2_000860,
Spectrum3_001575,
Spectrum4_000848,
Spectrum5_000972,
N-Nicotinoylaminoantipyrine,
AC1L1IA1,
Oprea1_385416,
SCHEMBL25945,
BSPBio_000269,
BSPBio_003110,
KBioGR_001455,
KBioSS_002055,
MLS000768954,
DivK1c_000546,
SPECTRUM1503230,
1,5-Dimethyl-4-nicotinamido-2-phenyl-3-pyrazolone,
SPBio_000879,
SPBio_002190,
Nifenazone, analytical standard,
BPBio1_000297,
CHEMBL1413176,
DTXSID7045366,
CHEBI:31910,
CTK8G1876,
HMS501L08,
KBio1_000546,
KBio2_002055,
KBio2_004623,
KBio2_007191,
KBio3_002610,
ZINC57417,
BRZANEXCSZCZCI-UHFFFAOYSA-N,
NINDS_000546,
HMS1568N11,
HMS1922K15,
HMS2095N11,
HMS2796P15,
HMS3712N11,
Pharmakon1600-01503230,
Tox21_110519,
2587AH,
CCG-40077,
NSC758411,
STK733507,
AKOS001038391,
Tox21_110519_1,
MCULE-1445985424,
NSC-758411,
IDI1_000546,
NCGC00016605-02,
NCGC00016605-03,
NCGC00016605-04,
NCGC00016605-05,
NCGC00016605-08,
NCGC00095026-01,
NCGC00095026-02,
NCGC00178289-01,
NCGC00178289-02,
HY-17475,
LS-96379,
SMR000433688,
ZB002109,
SBI-0051796.P002,
CS-0009213,
SW196756-3,
D01437,
W-2459,
AB00052331_09,
AB00052331_10,
5-25-14-00153 (Beilstein Handbook Reference),
J-014028,
SR-01000632824-1,
SR-01000632824-3,
SR-01000632824-4,
BRD-K47407372-001-05-6,
BRD-K47407372-001-09-8,
BRD-K47407372-001-15-5,
N-(1,5-Dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-nicotinamide,
N-(2,3-Dihydro-1,5-dimethyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)nicotinamide,
3-Pyridinecarboxamide, N-(2,3-dihydro-1,5-dimethyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)-,
N-(1,5-Dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)nicotinamide #,
N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)pyridine-3-carboxamide,
N-(2,3-Dihydro-1,5-dimethyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)-3-pyridinecarboxamide (9CI),
Nicodon,
Nifenazone (JAN),
Nifenazone dihydrochloride,
CID4487,
A8483,
|
| Complexity | 511 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 308.127g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 23 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 308.341g/mol |
| Monoisotopic Mass | 308.127g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 65.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
| Symbol: | |
| Hazard Class | |
| Hazard statements | H302-H315-H319-H335 |
| Packing Group | |
| Precautionary statements | P261-P305+P351+P338 |
| UN Code |
| Chemical Name: | Batch Number: | |
| Chemical Structure: | CAS Registry No: | |
| Product ID: | ||
| Manufacture Date: | ||
| Storage Temperature: | ||
| Formula: | ||
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