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Zolmitriptan

CAT: 0804-HY-B0229-02Size: 10 mM - 1 mLDry Ice: NoHazardous: No
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CAT#:0804-HY-B0229-02Size:10 mM - 1 mL
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Zolmitriptan (BW-311C90; 311C90) is a 5-HT1B/1D receptor partial agonist with Kis of 5.01 nM, 0.63 nM, and 63.09 nM for 5-HT1B, 5-HT1D, 5-HT1F receptor, respectively. Zolmitriptan can be used for the research of migraine[1][2].
CAS Number
139264-17-8
Product Name Alternative
BW-311C90; 311C90
UNSPSC
12352005
Hazard Statement
H302, H371
Target
5-HT Receptor; Endogenous Metabolite
Type
Reference compound
Related Pathways
GPCR/G Protein; Metabolic Enzyme/Protease; Neuronal Signaling
Applications
Neuroscience-Neuromodulation
Field of Research
Neurological Disease
Assay Protocol
https://www.medchemexpress.com/Zolmitriptan.html
Purity
99.98
Solubility
DMSO : 100 mg/mL (ultrasonic)
Smiles
O=C1OC[C@H](CC2=CC3=C(NC=C3CCN(C)C)C=C2)N1
Molecular Formula
C16H21N3O2
Molecular Weight
287.36
Precautions
H302, H371
References & Citations
[1]G R Martin, et al. Receptor specificity and trigemino-vascular inhibitory actions of a novel 5-HT1B/1D receptor partial agonist, 311C90 (zolmitriptan) . Br J Pharmacol. 1997 May;121 (2) :157-64.|[2]Katherine C Murray, et al. Polysynaptic excitatory postsynaptic potentials that trigger spasms after spinal cord injury in rats are inhibited by 5-HT1B and 5-HT1F receptors. J Neurophysiol. 2011 Aug;106 (2) :925-43.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound1
Clinical Information
Launched
Isoform
5-HT1 Receptor; mLAG-3

Chemical Information

Zolmitriptan

Zolmitriptan is a member of the class of tryptamines that is N,N-dimethyltryptamine in which the hydrogen at position 5 of the indole ring has been replaced by a [(4S)-2-oxo-1,3-oxazolidin-4-yl]methyl group. A serotonin 5-HT1 B and D receptor agonist, it is used for the treatment of migraine. It has a role as an anti-inflammatory drug, a serotonergic agonist and a vasoconstrictor agent. It is a member of tryptamines and an oxazolidinone. It is functionally related to a N,N-dimethyltryptamine.

CAS Number139264-17-8
PubChem CID60857
IUPAC Name(4S)-4-[[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]methyl]-1,3-oxazolidin-2-one
Molecular FormulaC16H21N3O2
Molecular Weight287.36
XLogP2.2
Topological Polar Surface Area57.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Heavy Atom Count21
Formal Charge0
Complexity375
SMILES
CN(C)CCC1=CNC2=C1C=C(C=C2)C[C@H]3COC(=O)N3
InChI
InChI=1S/C16H21N3O2/c1-19(2)6-5-12-9-17-15-4-3-11(8-14(12)15)7-13-10-21-16(20)18-13/h3-4,8-9,13,17H,5-7,10H2,1-2H3,(H,18,20)/t13-/m0/s1
InChIKey
ULSDMUVEXKOYBU-ZDUSSCGKSA-N
Chemical Structure
2D Structure
2D structure of Zolmitriptan
CAS: 139264-17-8
CID: 60857
Formula: C16H21N3O2
MW: 287.36
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight287.36
XLogP32.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Exact Mass287.16337692
Monoisotopic Mass287.16337692
Topological Polar Surface Area57.4 Ų
Heavy Atom Count21
Formal Charge0
Complexity375
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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CatalogName
B2261-500Zolmitriptan

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