Vitamin K3

CAS Number: 58-27-5

Molecular Mass: 172.18 g/mol

Formula: C₁₁H₈O₂

Smiles: CC1=CC(=O)c2ccccc2C1=O

Synonymes:

Vitamin K3, menadione, 58-27-5, 2-Methyl-1,4-naphthoquinone, 2-methylnaphthalene-1,4-dione, Kayquinone, Menaphthone, Thyloquinone, Kanone, Kappaxin, Kayklot, Klottone, Panosine, 2-Methyl-1,4-naphthalenedione, Kolklot, 2-Methylnaphthoquinone, Kipca, Aquinone, Kaergona, Menadion, Menaphthon, Prokayvit, Aquakay, Kareon, Koaxin, Synkay, Kativ-G, K-Thrombyl, Hemodal, Kappaxan, Mitenon, Mitenone, Karcon, Kaykot, K-Vitan, Juva-K, Vitamin K2(0), Vitamin K 3, Menaquinone 0, Vitamin K0, 2-Methyl-1,4-naphthochinon, 3-Methyl-1,4-naphthoquinone, Memodol, Usaf ek-5185, 1,4-Naphthalenedione, 2-methyl-, 2-Methyl-1,4-naftochinon, 2-methyl-1,4-dihydronaphthalene-1,4-dione, Menaphthene, 1,4-Naphthoquinone, 2-methyl-, NSC-4170, 723JX6CXY5, DTXSID4021715, 1,4-naphthalenedione, 2-methyl, CHEBI:28869, DTXCID801715, Menadione Phenolic, Bisulfite, Menadione, Menadione 1528, RefChem:5996, Bisulfite, Menadione Sodium, Sodium Bisulfite, Menadione, 200-372-6, Menaphtone, Kaynone, MFCD00001681, Menadione (Vitamin K3), Menaquinone O, Methyl-1,4-naphthoquinone, NSC 4170, NSC4170, MNQ, CHEMBL590, 2-Methyl-1,4-naphthalendione, MLS000069420, Menadionum, VK3, 34524-96-4, Kappaxan (VAN), CAS-58-27-5, Menadione semiquinone, NCGC00016258-02, SMR000059102, Menadione (Vitamin K3) 10 microg/mL in Acetonitrile, 2-Methyl-1,4-naftochinon [Czech], Menadione (USP), Kappaxin (TN), 2-Methyl-1,4-naphthochinon [German], CCRIS 6672, HSDB 3354, Menadione [USP:BAN], SR-01000712386, EINECS 200-372-6, 2-Methyl-1,4-naphthodione, Methyl-1,4-naphthalenedione, UNII-723JX6CXY5, Mendione, AI3-14700, 1,4-Dihydro-2-methylnaphthalene-1,4-dione, Menadione CRS, 2-methyl-1,4-naphthoquinone, 5, Menadione, 9, Phytomenadione Imp. A (EP), Menadione, 2-methylnaphthalene-1,4-dione, Phytomenadione Impurity A, Prestwick_313, Menadione, 98%, Menadione (Standard), Menadione, crystalline, Spectrum_001228, SpecPlus_000191, MENADIONE [MI], MENADIONE [HSDB], Opera_ID_1802, Prestwick0_000459, Prestwick1_000459, Prestwick2_000459, Prestwick3_000459, Spectrum2_001194, Spectrum4_000722, Spectrum5_001764, MENADIONE [VANDF], M0373, Epitope ID:613443, MENADIONE [MART.], NCIMech_000105, cid_4055, MENADIONE [USP-RS], MENADIONE [WHO-DD], enadione (1.05793), 2-methyl-1,4-napthoquinone, SCHEMBL25970, BSPBio_000538, KBioGR_000984, KBioGR_002527, KBioSS_001708, KBioSS_002535, 2-methyl-1,4 naphthoquinone, MLS001148443, orb746837, BIDD:ER0556, DivK1c_000080, DivK1c_006287, SPECTRUM1502254, SPBio_001267, SPBio_002477, 3-methyl-1,4-naphthalenedione, BPBio1_000592, orb1310604, orb3139842, SCHEMBL6152803, SCHEMBL6742148, MENADIONE [ORANGE BOOK], MENADIONE [EP MONOGRAPH], SCHEMBL11024467, SCHEMBL21046658, SCHEMBL25358615, SCHEMBL29351164, 2-Methyl-[1,4]-naphthoquinone, BDBM24778, HMS500D22, HY-B0332R, KBio1_000080, KBio1_001231, KBio2_001708, KBio2_002527, KBio2_004276, KBio2_005095, KBio2_006844, KBio2_007663, KBio3_003005, WLN: L66 BV EVJ C1, MENADIONE [USP MONOGRAPH], MSK1511, cMAP_000077, NINDS_000080, Bio1_000471, Bio1_000960, Bio1_001449, HMS1569K20, HMS1921P06, HMS2092F12, HMS2096K20, HMS2232A09, HMS2234J16, HMS3371M08, HMS3373A12, HMS3655P03, HMS3869N03, HMS5080H07, Pharmakon1600-01502254, HY-B0332, STR01143, Tox21_110334, Tox21_301367, BBL027351, CCG-35354, EBC-11022, Menadione (K3), analytical standard, NSC758200, s1949, SBB012369, STL377874, AKOS004910447, AKOS025244105, Tox21_110334_1, DB00170, FM11258, FS-2556, NSC-758200, SB17255, IDI1_000080, QTL1_000056, NCGC00016258-01, NCGC00016258-03, NCGC00016258-04, NCGC00016258-06, NCGC00016258-07, NCGC00016258-08, NCGC00016258-11, NCGC00094978-01, NCGC00094978-02, NCGC00255225-01, AC-34841, NCI60_003945, SMR000653532, ST066885, SY018303, SBI-0051776.P002, Menadione, meets USP testing specifications, NS00010106, SW219798-1, T0449, C05377, D02335, EN300-125382, PHYTOMENADIONE IMPURITY A [EP IMPURITY], F049845, Q192471, 1,4-Naphthalenedione, 2-methyl-, radical ion(1-), SR-01000712386-2, SR-01000712386-5, SR-01000712386-6, VITAMIN K3, 2-METHYL-1,4-NAPHTHALENEDIONE, BRD-K78126613-001-16-0, BRD-K78126613-001-27-7, BRD-K78126613-001-28-5, BRD-K78126613-001-29-3, Vitamin K3: 1,4-Dihydro-1,4-dioxo-2-methylnaphthalene, Z1255430959, Menadione, European Pharmacopoeia (EP) Reference Standard, 03AAE1E9-B215-45AF-976C-91E61894A467, Menadione, United States Pharmacopeia (USP) Reference Standard, Menadione, Pharmaceutical Secondary Standard, Certified Reference Material, InChI=1/C11H8O2/c1-7-6-10(12)8-4-2-3-5-9(8)11(7)13/h2-6H,1H, 2-Methyl-1,4-naphthoquinone, Vitamin K2(0), Vitamin K3, 2-Methyl-1,4-dihydronaphthalene-1,4-dione

Bioactivity: -

Solubility in Different Solvents

Solvent	Temperature [K]	Crystal form	Solubility [mg/mL]	Reference
1,2-Dichloroethane	278.15	-	213.9	[433]
1,2-Dichloroethane	283.15	-	266.1	[433]
1,2-Dichloroethane	288.15	-	299.0	[433]
1,2-Dichloroethane	293.15	-	361.0	[433]
1,2-Dichloroethane	298.15	-	410.3	[433]
1,2-Dichloroethane	303.15	-	495.2	[433]
1,2-Dichloroethane	308.15	-	569.0	[433]
1,2-Dichloroethane	313.15	-	682.0	[433]
1-Butanol	278.15	-	6.017	[433]
1-Butanol	283.15	-	7.942	[433]
1-Butanol	288.15	-	10.8	[433]
1-Butanol	293.15	-	14.06	[433]
1-Butanol	298.15	-	18.79	[433]
1-Butanol	303.15	-	23.93	[433]
1-Butanol	308.15	-	31.86	[433]
1-Butanol	313.15	-	42.11	[433]
1-Propanol	278.15	-	8.056	[433]
1-Propanol	283.15	-	9.952	[433]
1-Propanol	288.15	-	13.11	[433]
1-Propanol	293.15	-	15.88	[433]
1-Propanol	298.15	-	19.35	[433]
1-Propanol	303.15	-	23.07	[433]
1-Propanol	308.15	-	27.98	[433]
1-Propanol	313.15	-	32.82	[433]
Acetone	278.15	-	75.28	[433]
Acetone	283.15	-	94.1	[433]
Acetone	288.15	-	108.5	[433]
Acetone	293.15	-	132.2	[433]
Acetone	298.15	-	166.7	[433]
Acetone	303.15	-	203.2	[433]
Acetone	308.15	-	249.9	[433]
Acetone	313.15	-	304.4	[433]
Acetonitrile	278.15	-	54.65	[433]
Acetonitrile	283.15	-	66.76	[433]
Acetonitrile	288.15	-	91.66	[433]
Acetonitrile	293.15	-	110.6	[433]
Acetonitrile	298.15	-	136.6	[433]
Acetonitrile	303.15	-	166.9	[433]
Acetonitrile	308.15	-	208.2	[433]
Acetonitrile	313.15	-	253.7	[433]
Benzene	299.44	-	234.7	[434]
Benzene	304.83	-	285.9	[434]
Benzene	309.71	-	341.1	[434]
Benzene	313.92	-	398.4	[434]
Benzene	317.75	-	461.2	[434]
Benzene	321.86	-	540.8	[434]
Benzene	326.75	-	658.5	[434]
Benzene	330.75	-	779.8	[434]
Benzene	334.65	-	924.1	[434]
Benzene	338.96	-	1117.5	[434]
Cyclohexane	283.15	-	5.322	[433]
Cyclohexane	288.15	-	6.706	[433]
Cyclohexane	293.15	-	8.224	[433]
Cyclohexane	298.15	-	10.72	[433]
Cyclohexane	303.15	-	13.46	[433]
Cyclohexane	308.15	-	16.28	[433]
Cyclohexane	313.15	-	20.69	[433]
Dichloromethane	278.15	-	340.9	[433]
Dichloromethane	283.15	-	400.4	[433]
Dichloromethane	288.15	-	468.6	[433]
Dichloromethane	293.15	-	547.2	[433]
Dichloromethane	298.15	-	637.5	[433]
Dichloromethane	303.15	-	741.2	[433]
Dichloromethane	308.15	-	861.2	[433]
Dichloromethane	313.15	-	1002.1	[433]
Ethylbenzene	302.85	-	150.6	[434]
Ethylbenzene	309.44	-	191.7	[434]
Ethylbenzene	314.77	-	235.8	[434]
Ethylbenzene	319.53	-	285.4	[434]
Ethylbenzene	323.75	-	339.2	[434]
Ethylbenzene	327.93	-	401.1	[434]
Ethylbenzene	331.75	-	474.9	[434]
Ethylbenzene	335.44	-	567.4	[434]
Ethylbenzene	339.42	-	697.0	[434]
Ethylbenzene	343.86	-	872.8	[434]
Isopropanol	278.15	-	6.676	[433]
Isopropanol	283.15	-	8.514	[433]
Isopropanol	288.15	-	10.9	[433]
Isopropanol	293.15	-	13.31	[433]
Isopropanol	298.15	-	17.22	[433]
Isopropanol	303.15	-	21.58	[433]
Isopropanol	308.15	-	27.28	[433]
Isopropanol	313.15	-	34.22	[433]
Methanol	278.15	-	12.35	[433]
Methanol	283.15	-	14.47	[433]
Methanol	288.15	-	16.99	[433]
Methanol	293.15	-	20.69	[433]
Methanol	298.15	-	25.78	[433]
Methanol	303.15	-	29.99	[433]
Methanol	308.15	-	34.8	[433]
Methanol	313.15	-	40.86	[433]
Methyl acetate	278.15	-	98.68	[433]
Methyl acetate	283.15	-	111.1	[433]
Methyl acetate	288.15	-	138.2	[433]
Methyl acetate	293.15	-	167.8	[433]
Methyl acetate	298.15	-	201.3	[433]
Methyl acetate	303.15	-	251.2	[433]
Methyl acetate	308.15	-	289.3	[433]
Methyl acetate	313.15	-	365.6	[433]
Toluene	303.44	-	217.2	[434]
Toluene	308.84	-	265.3	[434]
Toluene	313.63	-	314.2	[434]
Toluene	317.65	-	368.2	[434]
Toluene	321.85	-	431.7	[434]
Toluene	325.99	-	510.6	[434]
Toluene	330.04	-	595.3	[434]
Toluene	333.86	-	700.4	[434]
Toluene	337.8	-	832.8	[434]
Toluene	342.59	-	1037.7	[434]
m-Xylene	301.65	-	202.1	[434]
m-Xylene	307.74	-	246.5	[434]
m-Xylene	312.76	-	293.6	[434]
m-Xylene	317.36	-	346.3	[434]
m-Xylene	321.64	-	405.4	[434]
m-Xylene	325.94	-	471.4	[434]
m-Xylene	329.73	-	546.1	[434]
m-Xylene	333.64	-	641.2	[434]
m-Xylene	337.61	-	767.6	[434]
m-Xylene	341.55	-	929.6	[434]
o-Xylene	302.95	-	230.8	[434]
o-Xylene	309.24	-	285.0	[434]
o-Xylene	314.25	-	335.3	[434]
o-Xylene	318.34	-	389.4	[434]
o-Xylene	322.45	-	450.6	[434]
o-Xylene	326.77	-	522.1	[434]
o-Xylene	330.54	-	603.6	[434]
o-Xylene	334.23	-	704.6	[434]
o-Xylene	338.32	-	846.7	[434]
o-Xylene	342.43	-	1034.0	[434]
p-Xylene	302.5	-	204.6	[434]
p-Xylene	309.53	-	257.4	[434]
p-Xylene	314.64	-	308.1	[434]
p-Xylene	318.96	-	362.0	[434]
p-Xylene	323.35	-	424.0	[434]
p-Xylene	327.68	-	494.9	[434]
p-Xylene	332.02	-	585.3	[434]
p-Xylene	335.89	-	701.8	[434]
p-Xylene	340.1	-	849.5	[434]
p-Xylene	344.24	-	1041.1	[434]

Molecule 3D descriptors

Descriptor	Value
PMI1	390.2121
PMI2	653.8152
PMI3	1040.8385
NPR1	0.3749
NPR2	0.6282
RadiusOfGyration	2.4605
InertialShapeFactor	0.0016
Eccentricity	0.9271
Asphericity	0.2957
SpherocityIndex	0.0259
PBF	0.0847