Temozolomide

$Compound Structure$

CAS Number: 85622-93-1

Molecular Mass: 194.15 g/mol

Formula: C₆H₆N₆O₂

Smiles: Cn1nnc2c(C(N)=O)ncn2c1=O

Synonymes:

Temozolomide, temozolomide, 85622-93-1, Methazolastone, Temodar, Temodal, 3-methyl-4-oxo-3,4-dihydroimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide, Temozolamide, CCRG-81045, Sch 52365, Temozolomidum, Sch-52365, NSC 362856, NSC-362856, temozolomida, M&B 39831, M&B-39831, CCRIS 8996, 3,4-dihydro-3-methyl-4-oxoimidazo[5,1-d]-1,2,3,5-tetrazine-8-carboxamide, MB 39831, M & B 39831, 8-Carbamoyl-3-methylimidazo(5,1-d)-1,2,3,5-tetrazin-4(3H)-one, BRN 5547136, M-39831, 3,4-Dihydro-3-methyl-4-oxoimidazo(5,1-d)-1,2,3,5-tetrazine-8-carboxamide, 3-Methyl-4-oxo-3,4-dihydroimidazo(5,1-d)(1,2,3,5)tetrazine-8-carboxamide, YF1K15M17Y, DTXSID5043714, 3,4-Dihydro-3-methyl-4-oxoimidazo(5,1-d)-as-tetrazine-8-carboxamide, Mk-7365, NSC362856, 3-methyl-4-oxoimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide, 3-methyl-4-oxo-3H,4H-imidazo[4,3-d][1,2,3,5]tetrazine-8-carboxamide, DTXCID3023714, CHEBI:72564, temomedac, Imidazo(5,1-d)(1,2,3,5)tetrazine-8-carboxamide, 3,4-dihydro-3-methyl-4-oxo-, 8-CARBAMOYL-3-METHYLIMIDAZO[5,1-D]-1,2,3,5-TETRAZIN-4(3H)-ONE, Temcad, 3-methyl-4-oxoimidazo(5,1-d)(1,2,3,5)tetrazine-8-carboxamide, TMZ Bioshuttle, 3,4-Dihydro-3-methyl-4-oxoimidazo[5,1-d]-as-tetrazine-8-carboxamide, 3-methyl-4-oxo-3H,4H-imidazo(4,3-d)(1,2,3,5)tetrazine-8-carboxamide, TMZA-HE, RefChem:389304, M and B 39831, CCRG81045, L01AX03, M&B39831, RP-46161, Imidazo(5,1-d)-1,2,3,5-tetrazine-8-carboxamide, 3, 4-dihydro-3-methyl-4-oxo-, 630-358-9, Temozolomidum [Latin], Temozolodida [Spanish], CCRG 81045, C6H6N6O2, MFCD00866492, CHEMBL810, Imidazo[5,1-d]-1,2,3,5-tetrazine-8-carboxamide, 3,4-dihydro-3-methyl-4-oxo-, MLS002701861, NCGC00167429-01, Temozolodida, TMZ, 3-Methyl-4-oxo-3,4-dihydroimidazo-[5,1-d][1,2,3,5]tetrazine-8-carboxamide, 3-Methyl-4-oxo-3,4-dihydro-imidazo[5,1-d][1,2,3,5]tetrazine-8-carboxylic acid amide, SMR000466338, Temodal (TN), Temodar (TN), CAS-85622-93-1, Temozolomide, VETRANAL(TM), analytical standard, SR-01000759347, UNII-YF1K15M17Y, Methazolastone, , Temodal, , Temozolomide [USAN:INN:BAN], Temozolomide CRS, IMIDAZO(5,1-D)-1,2,3,5-TETRAZINE-8-CARBOXAMIDE, 3,4-DIHYDRO-3-METHYL-4-OXO-, Temozolomide (Standard), TEMOZOLOMIDE [MI], TEMOZOLOMIDE [INN], TEMOZOLOMIDE [JAN], Temodar (TN) (Schering), TEMOZOLOMIDE [USAN], SCHEMBL3739, TEMOZOLOMIDE [VANDF], TEMOZOLOMIDE [MART.], MLS000759447, MLS001424028, BIDD:GT0204, TEMOZOLOMIDE [USP-RS], TEMOZOLOMIDE [WHO-DD], GTPL7301, orb1309506, TEMOZOLOMIDE [EMA EPAR], Temozolomide - Bio-X trade mark, Temozolomide (JP18/USAN/INN), Temozolomide, >=98% (HPLC), GLXC-02560, HMS2051O12, HMS2090B08, HMS2232N13, HMS3264I14, HMS3269P05, HMS3372K13, HMS3393O12, HMS3413D06, HMS3654N05, HMS3677D06, HMS3713H16, HMS5079A21, Pharmakon1600-01502289, TEMOZOLOMIDE [ORANGE BOOK], TEMOZOLOMIDE [EP MONOGRAPH], 3-methyl-4-oxo-imidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide, ALBB-021358, TEMOZOLOMIDE [USP MONOGRAPH], Tox21_112433, AC-758, BDBM50034562, DL-190, EBC-00562, HY-17364R, MSK159181, NSC759883, s1237, STK623541, 3-Methyl-4-oxo-3,4-dihydroimidazo[5,1-d][1,2,3,5]tetraazine-8-carboxamide, 3-methyl-4-oxo-3,4-dihydroimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide., AKOS005557098, Tox21_112433_1, CCG-100870, CS-0943, DB00853, FT28027, KS-1216, NC00120, NSC-759883, NCGC00167429-02, NCGC00167429-04, NCGC00167429-05, BP-25388, BT164447, HY-17364, NCI60_003316, SY013764, Temozolomide 100 microg/mL in Acetonitrile, NS00004198, SW197500-4, D06067, EN300-122324, AB00639915-06, AB00639915-08, AB00639915-09, AB00639915_10, AB00639915_11, F079436, Q425088, SR-01000759347-4, SR-01000759347-5, BRD-K32107296-001-04-5, BRD-K32107296-001-14-4, BRD-K32107296-001-15-1, BRD-K32107296-001-16-9, Z1201620684, 3-methyl-4-oxoimidazo [5,1-d] [1,2,3,5] tetrazine-8-carboxamide, Temozolomide, United States Pharmacopeia (USP) Reference Standard, 3-METHYL-4-OXO-8-IMIDAZOLO[5,1-D][1,2,3,5]TETRAZINECARBOXAMIDE, 3-Methyl-8-aminocarbonyl-imidazo[5,1-d]-1,2,3,5-tetrazin-4(3H)-one, Imidazo[5,2,3,5-tetrazine-8-carboxamide, 3,4-dihydro-3-methyl-4-oxo-, {Imidazo[5,1-d]-1,2,3,5-tetrazine-8-carboxamide,} 3, 4-dihydro-3-methyl-4-oxo-, 3,4-dihydro-3-methyl-4-oxo-imidazo[5,1-d]-1,2,3,5-tetrazine-8-carboxamide, 3,4-Dihydro-3-methyl-4-oxo-imidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide, 3,4-Dihydro-3-methyl-4-oxoimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide, Temozolomide, Pharmaceutical Secondary Standard, Certified Reference Material, 3-Methyl-4-oxo-3,4-dihydro-imidazo[5,1-d][1,2,3,5]tetrazine-8-carboxylic acid amide (Temozolomide), 3-Methyl-4-oxo-3,4-dihydro-imidazo[5,1-d][1,2,3,5]tetrazine-8-carboxylic acid amide(Temozolomide)

Bioactivity: -

Solubility in Different Solvents

Solvent	Temperature [K]	Crystal form	Solubility [mg/mL]	Reference
1-Propanol	273.15	-	0.1134	[112]
1-Propanol	278.15	-	0.1458	[112]
1-Propanol	283.15	-	0.1834	[112]
1-Propanol	288.15	-	0.2257	[112]
1-Propanol	293.15	-	0.2765	[112]
1-Propanol	298.15	-	0.3369	[112]
1-Propanol	303.15	-	0.4026	[112]
1-Propanol	308.15	-	0.4795	[112]
1-Propanol	313.15	-	0.5758	[112]
1-Propanol	318.15	-	0.685	[112]
Ethanol	273.15	-	0.2238	[112]
Ethanol	278.15	-	0.2669	[112]
Ethanol	283.15	-	0.3187	[112]
Ethanol	288.15	-	0.3828	[112]
Ethanol	293.15	-	0.4513	[112]
Ethanol	298.15	-	0.5287	[112]
Ethanol	303.15	-	0.6201	[112]
Ethanol	308.15	-	0.7351	[112]
Ethanol	313.15	-	0.8743	[112]
Ethanol	318.15	-	1.011	[112]
Ethyl acetate	273.15	-	0.1637	[112]
Ethyl acetate	278.15	-	0.2016	[112]
Ethyl acetate	283.15	-	0.2416	[112]
Ethyl acetate	288.15	-	0.2885	[112]
Ethyl acetate	293.15	-	0.3439	[112]
Ethyl acetate	298.15	-	0.4051	[112]
Ethyl acetate	303.15	-	0.465	[112]
Ethyl acetate	308.15	-	0.5379	[112]
Ethyl acetate	313.15	-	0.6163	[112]
Ethyl acetate	318.15	-	0.7114	[112]
Isopropanol	273.15	-	0.0571	[112]
Isopropanol	278.15	-	0.0694	[112]
Isopropanol	283.15	-	0.0873	[112]
Isopropanol	288.15	-	0.1087	[112]
Isopropanol	293.15	-	0.1312	[112]
Isopropanol	298.15	-	0.161	[112]
Isopropanol	303.15	-	0.196	[112]
Isopropanol	308.15	-	0.2349	[112]
Isopropanol	313.15	-	0.2889	[112]
Isopropanol	318.15	-	0.3519	[112]
Methanol	273.15	-	0.8551	[112]
Methanol	278.15	-	1.058	[112]
Methanol	283.15	-	1.31	[112]
Methanol	288.15	-	1.578	[112]
Methanol	293.15	-	1.872	[112]
Methanol	298.15	-	2.189	[112]
Methanol	303.15	-	2.539	[112]
Methanol	308.15	-	2.925	[112]
Methanol	313.15	-	3.37	[112]
Methanol	318.15	-	3.898	[112]

Molecule 3D descriptors

Descriptor	Value
PMI1	303.4440
PMI2	1032.7069
PMI3	1332.9306
NPR1	0.2277
NPR2	0.7748
RadiusOfGyration	2.6218
InertialShapeFactor	0.0026
Eccentricity	0.9737
Asphericity	0.4722
SpherocityIndex	0.0247
PBF	0.0894