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Rizatriptan sulfate

CAT: 0013-GTR19209572-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19209572-02Size:50 mg
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Description
Rizatriptan sulfate is a tryptamine-based small molecule that acts as a selective agonist for the 5-HT1D serotonin receptor. It is widely used in pharmacological research, including in vitro binding assays and in vivo models, to study migraine pathophysiology and acute treatment mechanisms.
CAS Number
159776-67-7
Field of Research
Neuroscience, Pharmacology & Drug Discovery
Smiles
O.OS (O) (=O) =O.CN (C) CCc1c[nH]c2ccc (Cn3cncn3) cc12
Molecular Formula
C15H21N5O4S
Molecular Weight
367.42
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Rizatriptan Sulfate

See also: Rizatriptan (has active moiety).

CAS Number159776-67-7
PubChem CID19610426
IUPAC Namebis(N,N-dimethyl-2-[5-(1,2,4-triazol-1-ylmethyl)-1H-indol-3-yl]ethanamine);sulfuric acid;hydrate
Molecular FormulaC30H42N10O5S
Molecular Weight654.8
Topological Polar Surface Area183
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count11
Rotatable Bond Count10
Heavy Atom Count46
Formal Charge0
Complexity390
SMILES
CN(C)CCC1=CNC2=C1C=C(C=C2)CN3C=NC=N3.CN(C)CCC1=CNC2=C1C=C(C=C2)CN3C=NC=N3.O.OS(=O)(=O)O
InChI
InChI=1S/2C15H19N5.H2O4S.H2O/c2*1-19(2)6-5-13-8-17-15-4-3-12(7-14(13)15)9-20-11-16-10-18-20;1-5(2,3)4;/h2*3-4,7-8,10-11,17H,5-6,9H2,1-2H3;(H2,1,2,3,4);1H2
InChIKey
SMWLLNMVQNVPLD-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Rizatriptan Sulfate
CAS: 159776-67-7
CID: 19610426
Formula: C30H42N10O5S
MW: 654.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight654.8
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count11
Rotatable Bond Count10
Exact Mass654.30603565
Monoisotopic Mass654.30603565
Topological Polar Surface Area183 Ų
Heavy Atom Count46
Formal Charge0
Complexity390
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count4
Compound Is CanonicalizedYes

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