Products for Research Use Only
RegisterLogin

Methotrexate Impurity 16

CAT: 1299-RM-M202416-03Size: 50 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:1299-RM-M202416-03Size:50 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
52853-40-4
Synonyms
6- (bromomethyl) pteridine-2,4-diamine hydrobromide
Molecular Formula
C7H7BrN6 HBr
Molecular Weight
255.07 80.92
Target Alternative Name
Methotrexate
Product Name Synonym
6- (bromomethyl) pteridine-2,4-diamine hydrobromide

Chemical Information

6-(Bromomethyl)-2-imino-2,3-dihydropteridin-4-amine--hydrogen bromide (1/1)

See other relationships...

CAS Number52853-40-4
PubChem CID12503242
IUPAC Name6-(bromomethyl)pteridine-2,4-diamine;hydrobromide
Molecular FormulaC7H8Br2N6
Molecular Weight335.99
Topological Polar Surface Area104
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count1
Heavy Atom Count15
Formal Charge0
Complexity203
SMILES
C1=C(N=C2C(=NC(=NC2=N1)N)N)CBr.Br
InChI
InChI=1S/C7H7BrN6.BrH/c8-1-3-2-11-6-4(12-3)5(9)13-7(10)14-6;/h2H,1H2,(H4,9,10,11,13,14);1H
InChIKey
KMQIBGKVZDBGAH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 6-(Bromomethyl)-2-imino-2,3-dihydropteridin-4-amine--hydrogen bromide (1/1)
CAS: 52853-40-4
CID: 12503242
Formula: C7H8Br2N6
MW: 335.99
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight335.99
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count1
Exact Mass335.91567
Monoisotopic Mass333.91772
Topological Polar Surface Area104 Ų
Heavy Atom Count15
Formal Charge0
Complexity203
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

Related Products

CatalogName
RM-M202457-01Methotrexate Impurity 57
RM-M202451-01Methotrexate Impurity 51
RM-M202448-01Methotrexate Impurity 48
RM-M202447-01Methotrexate Impurity 47
RM-M202445-01Methotrexate Impurity 45
RM-M202441-01Methotrexate Impurity 41
RM-M202430-01Methotrexate Impurity 30
RM-M202475-01Methotrexate Impurity 75
RM-M202473-01Methotrexate Impurity 73
RM-M202470-01Methotrexate Impurity 70

Alternative Products

CatalogName
AR-M04440-01Methotrexate Impurity 9
AR-M03439-01Methotrexate Diamide Impurity
AR-M04445-01Methotrexate Impurity 13
AR-M01596-01Methotrexate EP Impurity A
AR-M01598-01Methotrexate Impurity C
AR-M04444-01Methotrexate Impurity 12
AR-M04436-01Methotrexate Impurity 8
AR-M04441-01Methotrexate Impurity 10
AR-M01599-01Methotrexate Impurity D
CS-O-46621Methotrexate Nitroso Impurity 1

Popular Products