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Rizatriptan EP Impurity C

CAT: 1596-AR-R01871-06Size: 250 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-R01871-06Size:250 Units
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
208941-96-2
Synonyms
2- (5- ((1H-1,2,4-triazol-1-yl) methyl) -1H-indol-2-yl) -N, N-dimethylethanamine; Iso Rizatriptan; N, N-Dimethyl-5- (1H-1,2,4-triazol-1-ylmethyl) -1H-indole-2-ethanamine
Molecular Formula
C15H19N5
Molecular Weight
269.35
API Name
Rizatriptan

Chemical Information

N,N-Dimethyl-5-(1H-1,2,4-triazol-1-ylmethyl)-1H-indole-2-ethanamine
CAS Number208941-96-2
PubChem CID71749624
IUPAC NameN,N-dimethyl-2-[5-(1,2,4-triazol-1-ylmethyl)-1H-indol-2-yl]ethanamine
Molecular FormulaC15H19N5
Molecular Weight269.34
XLogP2.1
Topological Polar Surface Area49.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Heavy Atom Count20
Formal Charge0
Complexity309
SMILES
CN(C)CCC1=CC2=C(N1)C=CC(=C2)CN3C=NC=N3
InChI
InChI=1S/C15H19N5/c1-19(2)6-5-14-8-13-7-12(3-4-15(13)18-14)9-20-11-16-10-17-20/h3-4,7-8,10-11,18H,5-6,9H2,1-2H3
InChIKey
ABKUUFDCAHYSCG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N,N-Dimethyl-5-(1H-1,2,4-triazol-1-ylmethyl)-1H-indole-2-ethanamine
CAS: 208941-96-2
CID: 71749624
Formula: C15H19N5
MW: 269.34
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight269.34
XLogP32.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Exact Mass269.16404563
Monoisotopic Mass269.16404563
Topological Polar Surface Area49.7 Ų
Heavy Atom Count20
Formal Charge0
Complexity309
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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