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Rizatriptan EP Impurity A

CAT: 1299-RM-R260101-04Size: 100 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-R260101-04Size:100 mg
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CAS Number
887001-08-3
Synonyms
2- (5- ((1H-1,2,4-triazol-1-yl) methyl) -2- ((3- (2- (dimethylamino) ethyl) -1H-indol-5-yl) methyl) -1H-indol-3-yl) -N, N-dimethylethanamine
Molecular Formula
C28H35N7
Molecular Weight
469.62
Target Alternative Name
Rizatriptan
Product Name Synonym
2- (5- ((1H-1,2,4-triazol-1-yl) methyl) -2- ((3- (2- (dimethylamino) ethyl) -1H-indol-5-yl) methyl) -1H-indol-3-yl) -N, N-dimethylethanamine

Chemical Information

Rizatriptan dimer
CAS Number887001-08-3
PubChem CID57609764
IUPAC Name2-[5-[[3-[2-(dimethylamino)ethyl]-5-(1,2,4-triazol-1-ylmethyl)-1H-indol-2-yl]methyl]-1H-indol-3-yl]-N,N-dimethylethanamine
Molecular FormulaC28H35N7
Molecular Weight469.6
XLogP4.4
Topological Polar Surface Area68.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count10
Heavy Atom Count35
Formal Charge0
Complexity657
SMILES
CN(C)CCC1=CNC2=C1C=C(C=C2)CC3=C(C4=C(N3)C=CC(=C4)CN5C=NC=N5)CCN(C)C
InChI
InChI=1S/C28H35N7/c1-33(2)11-9-22-16-30-26-7-5-20(13-24(22)26)15-28-23(10-12-34(3)4)25-14-21(6-8-27(25)32-28)17-35-19-29-18-31-35/h5-8,13-14,16,18-19,30,32H,9-12,15,17H2,1-4H3
InChIKey
WMKBUQPKAAJBHZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Rizatriptan dimer
CAS: 887001-08-3
CID: 57609764
Formula: C28H35N7
MW: 469.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight469.6
XLogP34.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count10
Exact Mass469.29539415
Monoisotopic Mass469.29539415
Topological Polar Surface Area68.8 Ų
Heavy Atom Count35
Formal Charge0
Complexity657
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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