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N-Monodesmethyl Rizatriptan

CAT: 1596-AR-R01867-02Size: 25 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-R01867-02Size:25 Units
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CAS Number
144034-84-4
Synonyms
2- (5- ((1H-1,2,4-triazol-1-yl) methyl) -1H-indol-3-yl) -N-methylethanamine; N-Methyl-5- (1H-1,2,4-triazol-1-ylmethyl) -1H-indole-3-ethanamine; Rizatriptan EP Impurity I
Molecular Formula
C14H17N5
Molecular Weight
255.33
API Name
Rizatriptan

Chemical Information

Desmethyl rizatriptan
CAS Number144034-84-4
PubChem CID10149236
IUPAC NameN-methyl-2-[5-(1,2,4-triazol-1-ylmethyl)-1H-indol-3-yl]ethanamine
Molecular FormulaC14H17N5
Molecular Weight255.32
XLogP1.6
Topological Polar Surface Area58.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Heavy Atom Count19
Formal Charge0
Complexity285
SMILES
CNCCC1=CNC2=C1C=C(C=C2)CN3C=NC=N3
InChI
InChI=1S/C14H17N5/c1-15-5-4-12-7-17-14-3-2-11(6-13(12)14)8-19-10-16-9-18-19/h2-3,6-7,9-10,15,17H,4-5,8H2,1H3
InChIKey
HTVLSIBBGWEXCH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Desmethyl rizatriptan
CAS: 144034-84-4
CID: 10149236
Formula: C14H17N5
MW: 255.32
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight255.32
XLogP31.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Exact Mass255.14839556
Monoisotopic Mass255.14839556
Topological Polar Surface Area58.5 Ų
Heavy Atom Count19
Formal Charge0
Complexity285
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

Related Products

CatalogName
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AR-R10022-01N-Nitroso N-Desmethyl Rizatriptan
AR-R11814-01N-Desmethyl Rizatriptan-D3
AR-R01872-01Rizatriptan Dimer
AR-R01869-01Rizatriptan Impurity A
AR-R01866-01Rizatriptan Benzoate
AR-R11223-01N-Nitroso Rizatriptan Impurity 26 HCl
AR-R11197-01Rizatriptan Impurity 3

Alternative Products

CatalogName
TRC-M539500-1MGN10-Monodesmethyl Rizatriptan
460283N10-Monodesmethyl Rizatriptan Benzoate
TRC-M539502-10MGN10-Monodesmethyl Rizatriptan-d3
sc-484979N10-Monodesmethyl N10-Benzyl Rizatriptan
HY-Z8410-01Rizatriptan N-oxide
464755-01Rizatriptan N-Methylsulfonamide
CS-O-06000Rizatriptan-N-oxide
CS-O-39054N-nitroso Rizatriptan
CS-O-06136N-Desmethyl rizatriptan
RM-R260131-01N-Nitroso-Desmethyl-Rizatriptan

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