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Rizatriptan benzoate

CAT: 0931-T1512-02Size: 1 mL - 10 mM (in DMSO)Dry Ice: NoHazardous: No
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CAT#:0931-T1512-02Size:1 mL - 10 mM (in DMSO)
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
145202-66-0
Target
5-HT Receptor
Related Pathways
Neuroscience, GPCR/G Protein
Purity
0.9979
Bioactivity
Rizatriptan benzoate (MK-462 Benzoate) selectively binds to and activates serotonin (5-HT) 1B receptors and 5-HT 1D receptors providing relief of migraine headaches.
Smiles
c1cccc(c1)C(=O)O.[nH]1cc(c2cc(ccc12)Cn1ncnc1)CCN(C)C
Molecular Formula
C22H25N5O2
Molecular Weight
391.47
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

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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