Temozolomide EP Impurity E

CAT: 1299-RM-T132629-04Size: 100 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-T132629-04Size:100 mg

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CAS Number

4656-86-4

Synonyms

1H-imidazo[4,5-d][1,2,3]triazin-4 (5H) -one/3H-imidazo[4,5-d][1,2,3]triazin-4 (7H) -one

Molecular Formula

C4H3N5O

Molecular Weight

137.1

Target Alternative Name

Temozolomide

Product Name Synonym

3H-imidazo[4,5-d][1,2,3]triazin-4 (7H) -one

Chemical Information

3,7-Dihydro-4H-imidazo(4,5-d)-1,2,3-triazin-4-one

2-azahypoxanthine is a member of triazines.

CAS Number	4656-86-4
PubChem CID	135421876
IUPAC Name	3,5-dihydroimidazo[4,5-d]triazin-4-one
Molecular Formula	C4H3N5O
Molecular Weight	137.10
XLogP	0.2
Topological Polar Surface Area	82.5
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	0
Heavy Atom Count	10
Formal Charge	0
Complexity	190

SMILES

C1=NC2=C(N1)C(=O)NN=N2

InChI

InChI=1S/C4H3N5O/c10-4-2-3(6-1-5-2)7-9-8-4/h1H,(H2,5,6,7,8,10)

InChIKey

BTERLCQQBYXVIN-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 4656-86-4

CID: 135421876

Formula: C4H3N5O

MW: 137.10

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	137.10
XLogP3	0.2
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	0
Exact Mass	137.03375974
Monoisotopic Mass	137.03375974
Topological Polar Surface Area	82.5 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	190
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
RM-T132604-01	Temozolomide EP Impurity D
RM-T132603-01	Temozolomide EP Impurity B
RM-T132628-01	Temozolomide EP Impurity C
RM-T132602-01	Temozolomide EP Impurity A; Dacarbazine EP Impurity B
RM-L202405-01	Levothyroxine EP Impurity E; Liothyronine EP Impurity E
RM-O132305-01	Omeprazole EP Impurity E; Esomeprazole EP Impurity E
RM-P182605-01	Prazosin EP Impurity E; Doxazosin EP Impurity H; Terazosin EP Impurity E
RM-T132616-01	Temozolomide Impurity 16
RM-T132619-01	Temozolomide Impurity 19
RM-T132622-01	Temozolomide Impurity 22