Temozolomide-8-carboxylic acid
[CAS# 113942-30-6]

Identification

• Name: Temozolomide-8-carboxylic acid
• Synonyms: 3-Methyl-4-oxo-8-imidazolo[5,1-d][1,2,3,5]tetrazinecarboxylic acid; Temozolomide acid
• Molecular Formula: C₆H₅N₅O₃
• Molecular Weight: 195.14
• CAS Registry Number: 113942-30-6
• EC Number: 679-519-5

Properties

• Solubility: Slightly soluble (4.3 g/L) (25 ºC), Calc.^*
• Density: 1.97±0.1 g/cm³ (20 ºC 760 Torr), Calc.^*
• Melting point: 177 ºC (decomp)^**

^* Calculated using Advanced Chemistry Development (ACD/Labs) Software V11.02 (©1994-2014 ACD/Labs)

^** Arrowsmith, Jill; Journal of Medicinal Chemistry 2002, V45(25), P5458-5470.

Safety Data

Hazard Classification

Hazard	Class	Category Code	Hazard Statement
Reproductive toxicity	Repr.	1B	H360
Acute toxicity	Acute Tox.	4	H302
Specific target organ toxicity - repeated exposure	STOT RE	1	H372
Carcinogenicity	Carc.	1B	H350
Germ cell mutagenicity	Muta.	1B	H340
Skin irritation	Skin Irrit.	2	H315
Specific target organ toxicity - single exposure	STOT SE	3	H335
Eye irritation	Eye Irrit.	2A	H319
Carcinogenicity	Carc.	1A	H350