Zolmitriptan (139264-17-8),Zolmitriptan (139264-17-8) Manufacturers & Suppliers,Synthesis,MSDS

Basic information

Name:
Zolmitriptan
CAS No.:
139264-17-8
Molecular Structure:
Formula:
C₁₆H₂₁N₃O₂
Molecular Weight:
287.36
Synonyms:
Zomig Nasal Spray;311C90;Zomig (TN);Zolmitriptan (JAN/USAN);2-Oxazolidinone,4-[[3-[2-(dimethylamino)- ethyl]-1H-indol-5-yl]methyl]-,(4S)-;(4S)-4-[[3-(2-dimethylaminoethyl)-1H-indol-5-yl]methyl]oxazolidin-2-one;Zomig;Zolmitriptan [USAN];4-((3-(2-(Dimethylamino)ethyl)-1H-indol-5-yl)methyl)-2-oxazolidinone;2-Oxazolidinone, 4-((3-(2-(dimethylamino)ethyl)-1H-indol-5-yl)methyl)-, (S)-;Zomig ZMT;Zolmitriptan [GMP];Zolmitrptan;
Density:
1.217 g/cm³
Melting Point:
136-141 °C
Boiling Point:
563.3 °C at 760 mmHg
Flash Point:
294.5 °C
Hazard Symbols:
Xi
Risk Codes:
36/37/38
Safety Description:
26-36 Details

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Chemistry

Molecular Structure of Zolmitriptan (CAS NO.139264-17-8):

IUPAC Name: (4R)-4-[[3-(2-dimethylaminoethyl)-1H-indol-5-yl]methyl]-1,3-oxazolidin-2-one
Molecular formula: C₁₆H₂₁N₃O₂
Molecular Weight: 287.36
H bond acceptors: 5
H bond donors: 2
Freely Rotating Bonds: 5
Polar Surface Area: 37.71Å²
Index of Refraction: 1.619
Molar Refractivity: 82.89 cm³
Molar Volume: 236.1 cm³
Surface Tension: 53 dyne/cm
Density: 1.217 g/cm³
Flash Point: 294.5 °C
Enthalpy of Vaporization: 84.66 kJ/mol
Boiling Point: 563.3 °C at 760 mmHg
Vapour Pressure: 1.03E-12 mmHg at 25°C
Melting point: 136-141°C
Appearance: White Crystalline Powder
InChI
InChI=1/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
Smiles
c12c([nH]cc1CCN(C)C)ccc(c2)C[C@@H]1NC(=O)OC1
Product Categories: Antimigraine; All Inhibitors; Inhibitors; Intermediates & Fine Chemicals; Pharmaceuticals; Zolmitriptan

Toxicity Data With Reference

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
women	TDLo	oral	6mg/kg/43W-I (6mg/kg)	BEHAVIORAL: HEADACHE	Lancet. Vol. 353, Pg. 378, 1999.

Safety Profile

Hazard Codes: Xi
The Risk Statements information of Zolmitriptan:
36/37/38: Irritating to eyes, respiratory system and skin
The Safety Statements information of Zolmitriptan:
26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
36: Wear suitable protective clothing

Specification

Zolmitriptan , with CAS number of 139264-17-8, can be called (S)-4-((3-(2-(Dimethylamino)ethyl)-1H-indol-5-yl)methyl)-2-oxazolidinone ; (S)-4-((3-(2-(Dimethylamino)ethyl)indol-5-yl)methyl)-2-oxazolidinone ; 2-Oxazolidinone, 4-((3-(2-(dimethylamino)ethyl)-1H-indol-5-yl)methyl)-, (S)- ; 4-((3-(2-(Dimethylamino)ethyl)-1H-indol-5-yl)methyl)-2-oxazolidinone . The usage of Zolmitriptan is as an serotonin 5HTID-receptor agonist.