Acipimox

CAS Number: 51037-30-0

Molecular Mass: 154.12 g/mol

Formula: C₆H₆N₂O₃

Smiles: Cc1cnc(C(=O)O)c[n+]1[O-]

Synonymes:

Acipimox, ACIPIMOX, 51037-30-0, Olbetam, Olbemox, 5-methylpyrazine-2-carboxylic acid 4-oxide, 5-Methylpyrazinecarboxylic acid 4-oxide, 5-methyl-4-oxidopyrazin-4-ium-2-carboxylic acid, DTXSID2046202, NSC-759818, K9AY9IR2SD, DTXCID0026202, 5-CARBOXY-2-METHYLPYRAZIN-1-IUM-1-OLATE, Acipimoxum, RefChem:552678, C10AD06, 256-928-3, 5-Carboxy-2-methylpyrazine 1-oxide, 2-CARBOXY-5-METHYLPYRAZINE 4-OXIDE, K-9321, MFCD00865757, CHEMBL345714, NCGC00160519-01, CAS-51037-30-0, SR-05000001505, Acipimox (Standard), Acipimox (INN/BAN), ACIPIMOX [INN], ACIPIMOX [MI], Pyrazinecarboxylic acid, 5-methyl-, 4-oxide, ACIPIMOX [MART.], ACIPIMOX [WHO-DD], SCHEMBL48922, Acipimox - Bio-X trade mark, GTPL1596, SCHEMBL29370131, CHEBI:94688, HY-B0283R, HMS2090G05, HMS3655A14, HMS3713L18, HMS5080K09, Pharmakon1600-01504831, 5-Carboxy-2-methylpyrazine1-oxide, HY-B0283, MSK10616, WZB81628, Tox21_111868, Tox21_112498, Tox21_112805, AC-009, BBL009924, BDBM50208130, EBC-11165, NSC759818, s1806, STK711089, 2-carboxy-5-methyl-pyrazine-4-oxide, AKOS005530658, CCG-213957, DB09055, FM10331, MB01535, NCGC00160519-02, NCGC00160519-03, AS-15565, BA166874, SY106218, 5-Methyl-4-oxy-pyrazine-2-carboxylic acid, M2053, NS00057064, SW199084-2, D07190, EN300-151913, 5-methyl-4-oxido-2-pyrazin-4-iumcarboxylic acid, 5-methyl-4-oxido-2-pyrazin-4-iumcarboxylicacid, AB01274727-01, AB01274727-02, AB01274727_03, AB01274727_04, 5-METHYLPYRAZINE-2-CARBOXYLIC ACID-4-OXIDE, Q2342544, SR-05000001505-1, SR-05000001505-2, BRD-K63736853-001-01-4, BRD-K63736853-001-03-0, BRD-K63736853-001-04-8, 6-Methyl-1-oxo-1lambda~5~-pyrazine-3-carboxylic acid, Z1198155438

Bioactivity: -

Solubility in Different Solvents

Solvent	Temperature [K]	Crystal form	Solubility [mg/mL]	Reference
Acetone	283.15	-	3.351	[432]
Acetone	288.15	-	3.724	[432]
Acetone	293.15	-	4.159	[432]
Acetone	298.15	-	4.634	[432]
Acetone	303.15	-	5.154	[432]
Acetone	308.15	-	5.742	[432]
Acetone	313.15	-	6.472	[432]
Acetone	318.15	-	7.336	[432]
Acetonitrile	283.15	-	1.699	[432]
Acetonitrile	288.15	-	2.24	[432]
Acetonitrile	293.15	-	2.85	[432]
Acetonitrile	298.15	-	3.454	[432]
Acetonitrile	303.15	-	4.127	[432]
Acetonitrile	308.15	-	4.965	[432]
Acetonitrile	313.15	-	5.867	[432]
Acetonitrile	318.15	-	7.079	[432]
Methanol	283.15	-	8.14	[432]
Methanol	288.15	-	9.377	[432]
Methanol	293.15	-	10.86	[432]
Methanol	298.15	-	12.43	[432]
Methanol	303.15	-	14.38	[432]
Methanol	308.15	-	16.61	[432]
Methanol	313.15	-	19.29	[432]
Methanol	318.15	-	22.21	[432]
Water	283.15	-	16.93	[432]
Water	288.15	-	19.43	[432]
Water	293.15	-	22.66	[432]
Water	298.15	-	26.54	[432]
Water	303.15	-	30.81	[432]
Water	308.15	-	36.42	[432]
Water	313.15	-	42.44	[432]
Water	318.15	-	49.32	[432]

Molecule 3D descriptors

Descriptor	Value
PMI1	194.0762
PMI2	694.6266
PMI3	885.4936
NPR1	0.2192
NPR2	0.7845
RadiusOfGyration	2.3991
InertialShapeFactor	0.0040
Eccentricity	0.9757
Asphericity	0.4861
SpherocityIndex	0.0375
PBF	0.1050