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N-Desmethyl Zolmitriptan

CAT: 0804-HY-W740014-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-W740014-01Size:1 mg
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Description
N-Desmethyl Zolmitriptan (183C91; DZT) is the active metabolite of the serotonin (5-HT) receptor subtype 5-HT1B and 5-HT1D agonist Zolmitriptan. N-Desmethyl Zolmitriptan (183C91; DZT) is an agonist of 5-HT1B receptors and induces constriction in isolated human cerebral arteries (EC50=100 nM).
CAS Number
139264-35-0
Product Name Alternative
183C91; DZT
UNSPSC
12352005
Hazard Statement
H302+H312+H332-H315-H319
Target
5-HT Receptor
Type
Reference compound
Related Pathways
GPCR/G Protein; Neuronal Signaling
Applications
Neuroscience-Neuromodulation
Field of Research
Neurological Disease
Assay Protocol
https://www.medchemexpress.com/n-desmethyl-zolmitriptan.html
Smiles
CNCCC1=CNC2=C1C=C(C[C@@H](CO3)NC3=O)C=C2
Molecular Formula
C15H19N3O2
Molecular Weight
273.33
Precautions
P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P501
References & Citations
[1]Patel, et al. Systematic evaluation of matrix effect and cross-talk-free method for simultaneous determination of zolmitriptan and N-desmethyl zolmitriptan in human plasma: A sensitive LC-MS/MS method validation and its application to a clinical pharmacokinetic study. Biomed. Chromatogr. 30 (3), 447-458 (2016) .
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported
Isoform
5-HT1 Receptor

Chemical Information

183C91

active metabolite of zolmitriptan

CAS Number139264-35-0
PubChem CID178536
IUPAC Name(4S)-4-[[3-[2-(methylamino)ethyl]-1H-indol-5-yl]methyl]-1,3-oxazolidin-2-one
Molecular FormulaC15H19N3O2
Molecular Weight273.33
XLogP1.7
Topological Polar Surface Area66.2
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Heavy Atom Count20
Formal Charge0
Complexity350
SMILES
CNCCC1=CNC2=C1C=C(C=C2)C[C@H]3COC(=O)N3
InChI
InChI=1S/C15H19N3O2/c1-16-5-4-11-8-17-14-3-2-10(7-13(11)14)6-12-9-20-15(19)18-12/h2-3,7-8,12,16-17H,4-6,9H2,1H3,(H,18,19)/t12-/m0/s1
InChIKey
QGGCHSMZXKNGCK-LBPRGKRZSA-N
Chemical Structure
2D Structure
2D structure of 183C91
CAS: 139264-35-0
CID: 178536
Formula: C15H19N3O2
MW: 273.33
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight273.33
XLogP31.7
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Exact Mass273.147726857
Monoisotopic Mass273.147726857
Topological Polar Surface Area66.2 Ų
Heavy Atom Count20
Formal Charge0
Complexity350
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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