Responsive image

Common name


Temozolomide

IUPAC name


3-methyl-4-oxo-3H,4H-imidazo[4,3-d][1,2,3,5]tetrazine-8-carboxamide

SMILES


CN1N=NC2=C(N=CN2C1=O)C(N)=O

Compound class


Antineoplastic Agents; Immunosuppressive Agents; Antineoplastic Agents, Alkylating; Alkylating Agents; Antineoplastic and Immunomodulating Agents; CYP3A4 Inhibitors;

Therapeutic area


For the treatment of adult patients diagnosed with anaplastic astrocytoma whose disease has progressed after therapy with nitrosourea and procarbazine, as well as concomitantly with radiation therapy for treatment of newly diagnosed glioblastoma multiforme. Also used as maintenance therapy for glioblastoma multiforme.

Common name


Temozolomide

IUPAC name


3-methyl-4-oxo-3H,4H-imidazo[4,3-d][1,2,3,5]tetrazine-8-carboxamide

SMILES


CN1N=NC2=C(N=CN2C1=O)C(N)=O

INCHI


InChI=1S/C6H6N6O2/c1-11-6(14)12-2-8-3(4(7)13)5(12)9-10-11/h2H,1H3,(H2,7,13)

FORMULA


C6H6N6O2

Responsive image

Common name


Temozolomide

IUPAC name


3-methyl-4-oxo-3H,4H-imidazo[4,3-d][1,2,3,5]tetrazine-8-carboxamide

Molecular weight


194.151

clogP


-1.784

clogS


0.120

HBond Acceptor


5

HBond Donor


2

Total Polar
Surface Area


108.17

Number of Rings


2

Rotatable Bond


1

Drug ID Common name Structure CAS SMILE Frequency
FDBF00003 formamide Responsive image C(=O)N 0.1240
FDBF01909 3-methylimidazo[5,1-d][1,2,3,5]tetrazin-4-one Responsive image O=c1n2c(nnn1C)cnc2 0.0003
2 , 1