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Rizatriptan benzoate

CAT: 0013-GTR19163184-02Size: 1 gDry Ice: NoHazardous: No
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CAT#:0013-GTR19163184-02Size:1 g
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Description
Rizatriptan Benzoate (Maxalt) is a 5-HT1 agonist triptan drug for the treatment of migraine headaches.
CAS Number
145202-66-0
Product Name Alternative
MK-462
Field of Research
Pharmacology & Drug Discovery
Purity
>98% (HPLC)
Solubility
Water: 46 mg/mL (117.5 mM) ; DMSO: 20 mg/mL (51.08 mM)
Smiles
CN (C) CCC1=CNC2=C1C=C (C=C2) CN3C=NC=N3.C1=CC=C (C=C1) C (=O) O
Molecular Formula
C22H25N5O2
Molecular Weight
391.47
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.
Other Product Names
2- (5- ((1H-1,2,4-triazol-1-yl) methyl) -1H-indol-3-yl) -N, N-dimethylethan-1-amine benzoate

Chemical Information

Rizatriptan Benzoate

Rizatriptan benzoate is a member of tryptamines.

CAS Number145202-66-0
PubChem CID77997
IUPAC Namebenzoic acid;N,N-dimethyl-2-[5-(1,2,4-triazol-1-ylmethyl)-1H-indol-3-yl]ethanamine
Molecular FormulaC22H25N5O2
Molecular Weight391.5
Topological Polar Surface Area87
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Heavy Atom Count29
Formal Charge0
Complexity412
SMILES
CN(C)CCC1=CNC2=C1C=C(C=C2)CN3C=NC=N3.C1=CC=C(C=C1)C(=O)O
InChI
InChI=1S/C15H19N5.C7H6O2/c1-19(2)6-5-13-8-17-15-4-3-12(7-14(13)15)9-20-11-16-10-18-20;8-7(9)6-4-2-1-3-5-6/h3-4,7-8,10-11,17H,5-6,9H2,1-2H3;1-5H,(H,8,9)
InChIKey
JPRXYLQNJJVCMZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Rizatriptan Benzoate
CAS: 145202-66-0
CID: 77997
Formula: C22H25N5O2
MW: 391.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight391.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Exact Mass391.20082506
Monoisotopic Mass391.20082506
Topological Polar Surface Area87 Ų
Heavy Atom Count29
Formal Charge0
Complexity412
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

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