Compound: temozolomide
SMILES: O=c1n(nnc2n1cnc2C(=O)N)C
InChIKey: BPEGJWRSRHCHSN-UHFFFAOYSA-N
Synonyms: 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, T2744, 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)
Theoretical properties:
molecular_formula: C6H6N6O2
molecular_weight: 194.15 g/mol
exact_mass: 194.05522346 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 1
hydrogen_bond_acceptor_count: 5
rotatable_bond_count: 1
heavy_atom_count: 14
topological_polar_surface_area: 106 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
Descriptions:
{"pubchem": "Temozolomide is an imidazotetrazine that is 3,4-dihydroimidazo[5,1-d][1,2,3,5]tetrazine which is substituted at positions 3, 4, and 8 by methyl, oxo, and carboxamide groups, respectively. A prodrug for MTIC (5-(3-methyltriaz-1-en-1-yl)-1H-imidazole-4-carboxamide, formed by spontaneous hydrolysis of temozolomide in the body), it is used as an oral alkylating agent for the treatment of newly diagnosed malignant glioblastoma multiforme (concomitantly with radiotherapy) and malignant melanoma. It has a role as an alkylating agent, an antineoplastic agent and a prodrug. It is a monocarboxylic acid amide, an imidazotetrazine and a triazene derivative.", "chebi": "An imidazotetrazine that is 3,4-dihydroimidazo[5,1-<em>d</em>][1,2,3,5]tetrazine which is substituted at positions 3, 4, and 8 by methyl, oxo, and carboxamide groups, respectively. A prodrug for MTIC (5-(3-methyltriaz-1-en-1-yl)-1<em>H</em>-imidazole-4-carboxamide, formed by spontaneous hydrolysis of temozolomide in the body), it is used as an oral alkylating agent for the treatment of newly diagnosed malignant  glioblastoma multiforme (concomitantly with radiotherapy) and malignant melanoma.", "chembl": "TEMOZOLOMIDE is a small molecule listed in the ChEMBL database and has reached clinical trial phase 4.0.", "wikipedia": "Temozolomide, sold under the brand name Temodar among others, is an anticancer medication used to treat brain tumors such as glioblastoma and anaplastic astrocytoma. It is taken by mouth or via intravenous infusion.\nThe most common side effects with temozolomide are nausea, vomiting, constipation, loss of appetite, alopecia (hair loss), headache, fatigue, convulsions (seizures), rash, neutropenia or lymphopenia (low white-blood-cell counts), and thrombocytopenia (low blood platelet counts). People receiving the solution for infusion may also have injection-site reactions, such as pain, irritation, itching, warmth, swelling and redness, as well as bruising.\nTemozolomide is an alkylating agent used to treat serious brain cancers; most commonly as second-line treatments for astrocytoma and as the first-line treatment for glioblastoma. Olaparib in combination with temozolomide demonstrated substantial clinical activity in relapsed small cell lung cancer. It is available as a generic medication."}