Temozolomide

Description

Temozolomide · CAS 85622-93-1 · C6H6N6O2. UNII YF1K15M17Y. Melting Point: 212; Melting Point: 212 °C; Solubility: 5.09.

Identification

CAS Registry Number	85622-93-1
PubChem CID	5394
Molecular formula	C6H6N6O2
IUPAC name	3-methyl-4-oxoimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide
UNII (FDA)	YF1K15M17Y

Computed Descriptors

Molecular Weight	194.15
XLogP3	-1.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	1
Exact Mass	194.05522346
Monoisotopic Mass	194.05522346
Topological Polar Surface Area	106
Heavy Atom Count	14
Formal Charge	0

Physical & Chemical Properties

Melting Point	212
Melting Point	212 °C
Solubility	5.09
Solubility	5.09e+00 g/L
LogP	-1.153
LogP	-2.8
LogP	-1.08

Physical description & handling notes

• Solid

GHS Hazard Classification

Reported hazard statements	H204 (17.3%), H300 (49.4%), H302 (37.7%), H315 (61.1%), H319 (61.7%), H335 (60.5%), H340 (61.1%), H341 (35.8%)

Documented Uses

• Use (kg; approx.) in Germany (2009): >75
• Consumption (g per capita; approx.) in Germany (2009): 0.000916
• Temozolomide is indicated in adult patients for the treatment of newly diagnosed glioblastoma concomitantly with radiotherapy and for use as maintenance treatment thereafter. It is also indicated for the treatment of refractory anaplastic astrocytoma in adult patients or adjuvant therapy for adults with newly diagnosed anaplastic astrocytoma.
• Temozolomide is an orally administered alkylating agent used largely in the therapy of malignant brain tumors including glioblastoma and astrocytoma. Temozolomide has been associated with a low rate of serum enzyme elevations during treatment and with rare instances of clinically apparent cholestatic liver injury.
• Breast Feeding; Lactation; Antineoplastic Agents; Antineoplastic Agents, Alkylating
• Antineoplastic Agents, Alkylating Agents

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; NSC 362856; Sch-52365; NSC-362856; temozolomida; M&B 39831; M&B-39831

Frequently Asked Questions

What are the CAS number and molecular formula of Temozolomide?

CAS 85622-93-1; molecular formula C6H6N6O2; molecular weight — g/mol.

What other names is Temozolomide known by?

temozolomide, 85622-93-1, Methazolastone, Temodar, Temodal, 3-methyl-4-oxo-3,4-dihydroimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide.

Is Temozolomide classified as hazardous?

Hazard statements reported: H204, H300, H302, H315, H319.

What are the key physical properties of Temozolomide?

Melting Point: 212; Melting Point: 212 °C; Solubility: 5.09; Solubility: 5.09e+00 g/L.

Facts on this page are taken from PubChem (US National Library of Medicine) and Wikidata. Grade-specific data — assay, moisture, particle size, packaging, shelf life — is issued per batch on the COA and is not published here.