Temozolomide

C₆H₆N₆O₂CAS 85622-93-1194.15 g/mol

Open in Covalent MOL file

Amide

Properties

Molecular formula: C₆H₆N₆O₂
Molar mass: 194.15 g/mol
Exact mass: 194.0552 Da
Melting point: 212 °C (decomposes)
logP: -2.08Crippen estimate
Polar surface area: 108.2 Å²
H-bond donors / acceptors: 1 / 5
Rotatable bonds: 1

Hazards

Danger

H204 Fire or projection hazard17.3% of notifiers
H300 Fatal if swallowed49.4% of notifiers
H302 Harmful if swallowed37.7% of notifiers
H315 Causes skin irritation61.1% of notifiers
H319 Causes serious eye irritation61.7% of notifiers
H335 May cause respiratory irritation60.5% of notifiers
H340 May cause genetic defects61.1% of notifiers
H341 Suspected of causing genetic defects35.8% of notifiers
H350 May cause cancer62.3% of notifiers
H351 Suspected of causing cancer35.2% of notifiers
H360 May damage fertility or the unborn child85.8% of notifiers
H372 Causes damage to organs through prolonged or repeated exposure56.8% of notifiers

Aggregated from 162 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P203, P210, P230, P234, P236, P240, P250, P260, P261, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P318, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P380+P375, P401, P403+P233, P405, P501, P503

Identifiers

CAS number

85622-93-1

SMILES

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

InChIKey

BPEGJWRSRHCHSN-UHFFFAOYSA-N

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)

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

19 names · show all

Imidazo[5,1-d]-1,2,3,5-tetrazine-8-carboxamide, 3,4-dihydro-3-methyl-4-oxo-
3,4-Dihydro-3-methyl-4-oxoimidazo[5,1-d]-1,2,3,5-tetrazine-8-carboxamide
CCRG 81045
NSC 362856
M And B 39831
MB 39831
Methazolastone
Temodal
Sch 52365
Temodar
3-Methyl-4-oxo-8-imidazolo[5,1-d][1,2,3,5]tetrazinecarboxamide
8-Carbamoyl-3-methylimidazo[5,1-d]-1,2,3,5-tetrazin-4(3H)-one
3-Methyl-8-carbamoylimidazo[5,1-d]-1,2,3,5-tetrazin-4(3H)-one
3-Methyl-4-oxo-3,4-dihydroimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide
T 2577
3-Methyl-4-oxoimidazo[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
3-Methyl-4-oxo-3H,4H-imidazo[4,3-d][1,2,3,5]tetrazine-8-carboxamide
Temomedac

Work with Temozolomide

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

3-Methyl-4-oxo-3,4-dihydroimidazo(5,1-d)(1,2,3,5)tetrazine-8-carbonitrile114601-31-952 % similar 1,3-Dimethyl-1H-pyrazole-5-carboxamide136678-93-833 % similar 3-Hydroxypyrazine-2-carboxamide55321-99-831 % similar Caffeine58-08-230 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook