Zolmitriptan

CAT: 0931-T1092-03Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0931-T1092-03Size:100 mg

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CAS Number

139264-17-8

Target

Endogenous Metabolite, 5-HT Receptor

Related Pathways

Metabolism, GPCR/G Protein, Neuroscience

Purity

0.9991

Bioactivity

Zolmitriptan (311C90) selectively binds to and activates serotonin (5-HT) 1B receptors expressed in intracranial arteries and 5-HT 1D receptors located on peripheral trigeminal sensory nerve terminals in the meninges and central terminals in brainstem sensory nuclei. Zolmitriptan is a member of the triptan class of agents with anti-migraine properties. Receptor binding results in constriction of cranial vessels, reduction of vessel pulsation and inhibition of nociceptive transmission, thereby providing relief of migraine headaches. Zolmitriptan may also relieve migraine headaches by inhibition of pro-inflammatory neuropeptide release.

Smiles

C(CN(C)C)C=1C=2C(NC1)=CC=C(C[C@@H]3NC(=O)OC3)C2

Molecular Formula

C16H21N3O2

Molecular Weight

287.36

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

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of the class of tryptamines that is N,N-dimethyltryptamine in which the hydrogen at position 5 of the indole ring has been replaced by a [(4S)-2-oxo-1,3-oxazolidin-4-yl]methyl group.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 Number	139264-17-8
PubChem CID	60857
IUPAC Name	(4S)-4-[[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]methyl]-1,3-oxazolidin-2-one
Molecular Formula	C16H21N3O2
Molecular Weight	287.36
XLogP	2.2
Topological Polar Surface Area	57.4
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	5
Heavy Atom Count	21
Formal Charge	0
Complexity	375

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

CAS: 139264-17-8

CID: 60857

Formula: C16H21N3O2

MW: 287.36

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	287.36
XLogP3	2.2
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	5
Exact Mass	287.16337692
Monoisotopic Mass	287.16337692
Topological Polar Surface Area	57.4 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	375
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Alternative Products

Catalog	Name
B2261-500	Zolmitriptan

Zolmitriptan

Chemical Information

Alternative Products

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