Cyanotemozolomide

Basic Information

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CAS Number

114601-31-9

Molecular Formula

C6H4N6O

Molecular Weight

165.16 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Nitriles

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Basic Physical Properties

SMILES

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CN1C(=O)N2C=NC(=C2N=N1)C#N

InChI

InChI=1S/C6H4N6O/c1-11-6(13)12-3-8-4(2-7)5(12)9-10-11/h3H,1H3

InChIKey

VVSHZIRQNZADET-UHFFFAOYSA-N

LogP

-0.8685800000000004

Topological Polar Surface Area

65.08 Å²

Hydrogen Bond Donor/Acceptor

0 / 6

Complexity

316

Synonyms & References

English

3,4-dihydro-3-methyl-4-oxo-Imidazo[5,1-d]-1,2,3,5-tetrazine-8-carbonitrile
8-Descarboxamido-8-cyano Temozolomide
Cyano temozolomide
1-Naphthalenecarbonitrile,7-hydroxy
7-hydroxy-1-cyanonaphthalene
7-Hydroxy-1-naphthonitrile
8-Cyano-2-naphthol
Temozolomide Cyano Impurity
Temozolomide Impurity A
3-methyl-4-oxo-3,4-dihydroimidazo[5,1-d][1,2,3,5]tetrazine-8-carbonitrile
3-Methyl-4-oxo-3,4-dihydroimidazo[5,1-d][1,2,3,5]tetrazine-8-carbonitrile
3-methyl-4-oxoimidazo[5,1-d][1,2,3,5]tetrazine-8-carbonitrile
AKOS006331999
7H0G4H1HOV
CYANOTEMOZOL OMIDE [USP IMPURITY]
Cyanotemozol omide [USP]
Cyano Temozolomide
SCHEMBL3810328
UNII-7H0G4H1HOV
3-Methyl-4-oxo-3,4-dihydroimidazo(5,1-d)(1,2,3,5)tetrazine-8-carbonitrile
DTXSID30450817
2-cumyl-5phenyltrazole
Temozolomide impurity C [EP]
Cyano Temozomide
TEMOZOLOMIDE IMPURITY C [EP IMPURITY]
3-methyl-4-oxo-3H,4H-imidazo[4,3-d][1,2,3,5]tetrazine-8-carbonitrile
Temozolomide_cyano
3,4-Dihydro-3-methyl-4-oxoimidazo(5,1-d)-1,2,3,5-tetrazine-8-carbonitrile
Cyanotemozolomide
EN300-8086624
TEMOZOLOMIDE IMPURITY, CYANOTEMOZOL OMIDE [USP IMPURITY]

MDL Number

MFCD09263700

FAQ

What is Cyanotemozolomide (CAS: 114601-31-9)?

Cyanotemozolomide (CAS: 114601-31-9) is an antineoplastic agent used in cancer chemotherapy. It is a derivative of temozolomide with a cyanostyryl substituent. It exhibits potent antiproliferative activity against various cancer cell lines.

What are the main uses of Cyanotemozolomide (CAS: 114601-31-9)?

Cyanotemozolomide (CAS: 114601-31-9) is primarily used as an antineoplastic agent in the treatment of certain types of cancers, particularly in clinical trials for hematological and solid tumors.

Is Cyanotemozolomide (CAS: 114601-31-9) safe?

Cyanotemozolomide (CAS: 114601-31-9) has some potential toxicity and should be handled with caution. Users are advised to follow proper safety protocols, including wearing personal protective equipment and handling under appropriate laboratory conditions.

How should Cyanotemozolomide (CAS: 114601-31-9) be stored?

Cyanotemozolomide (CAS: 114601-31-9) should be stored in a cool, dry place away from direct sunlight and heat sources. It should be kept in a tightly sealed container to prevent degradation. Refrigeration is not typically required, but the product should be protected from extreme temperatures.