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Zolmitriptan

CAT: 0926-FZ28774-01Size: 5 gDry Ice: NoHazardous: No
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CAT#:0926-FZ28774-01Size:5 g
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CAS Number
139264-17-8
Synonyms
(4S) -4-[[3-[2- (Dimethylamino) ethyl]-1H-indol-5-yl]methyl-2-oxazolidinone; BW-311C90; Zomig
MDL Number
MFCD00871503
Smiles
CN (C) CCC1=CNC2=C1C=C (C=C2) C[C@H]3COC (=O) N3
Molecular Formula
C16H21N3O2
Molecular Weight
287.36 g/mol
Controlled
No

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of the class of tryptamines that is N,N-dimethyltryptamine in which the hydrogen at position 5 of the indole ring has been replaced by a [(4S)-2-oxo-1,3-oxazolidin-4-yl]methyl group.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

Alternative Products

CatalogName
B2261-500Zolmitriptan

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