Introduction：Basic information about CAS 113942-30-6|Temozolomide-8-carboxylic acid, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | Temozolomide-8-carboxylic acid |
|---|
| CAS Number | 113942-30-6 | Molecular Weight | 195.136 |
|---|
| Density | 2.0±0.1 g/cm3 | Boiling Point | 487.7±37.0 °C at 760 mmHg |
|---|
| Molecular Formula | C6H5N5O3 | Melting Point | 177 ºC (decomp) |
|---|
| MSDS | / | Flash Point | 248.7±26.5 °C |
|---|
Names
| Name | 3-Methyl-4-oxo-3,4-dihydroimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxylic acid |
|---|
| Synonym | More Synonyms |
|---|
Temozolomide-8-carboxylic acid BiologicalActivity
| Description | Temozolomide acid is a carboxylic acid derivative of Temozolomide. Temozolomide is a DNA alkylating agent, methylating the guanine and adenine bases of DNA, causing breaks in DNA double strand, cell cycle arrest, and eventually cell death. Temozolomide acid has an activity similar to the parent compound Temozolomide with the same anticancer activity[1]. |
|---|
| Related Catalog | Research Areas >>CancerSignaling Pathways >>Cell Cycle/DNA Damage >>DNA/RNA Synthesis |
|---|
| References | [1]. Helal DO, et al. A natural protein based platform for the delivery of Temozolomide acid to glioma cells. Eur J Pharm Biopharm. 2021 Dec;169:297-308. |
|---|
Chemical & Physical Properties
| Density | 2.0±0.1 g/cm3 |
|---|
| Boiling Point | 487.7±37.0 °C at 760 mmHg |
|---|
| Melting Point | 177 ºC (decomp) |
|---|
| Molecular Formula | C6H5N5O3 |
|---|
| Molecular Weight | 195.136 |
|---|
| Flash Point | 248.7±26.5 °C |
|---|
| Exact Mass | 195.039246 |
|---|
| PSA | 102.38000 |
|---|
| LogP | -1.46 |
|---|
| Vapour Pressure | 0.0±1.3 mmHg at 25°C |
|---|
| Index of Refraction | 1.860 |
|---|
| InChIKey | VVTMIOYTNALQAW-UHFFFAOYSA-N |
|---|
| SMILES | Cn1nnc2c(C(=O)O)ncn2c1=O |
|---|
| Storage condition | 2-8°C |
|---|
| Water Solubility | Slightly soluble (4.3 g/L) (25 ºC) |
|---|
Safety Information
| Hazard Codes | Xi |
|---|
| HS Code | 2933990090 |
|---|
Customs
| HS Code | 2933990090 |
|---|
| Summary | 2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0% |
|---|
Synonyms
| 3-Methyl-4-oxo-3,4-dihydroimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxylic acid |
| 3-methyl-4-oxoimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxylic acid |
| Imidazo[5,1-d]-1,2,3,5-tetrazine-8-carboxylic acid, 3,4-dihydro-3-methyl-4-oxo- |
| Temozolomideacid |
| Temozolomide-8-carboxylic acid |
