334981-12-3

Name N-DesMethyl AlMotriptan
CAS 334981-12-3
Molecular Formula C16H22N3O2S
Molecular Weight 320.43
MOL File 334981-12-3.mol
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Chemical Properties

Boiling point  545.0±60.0 °C(Predicted)
density  1.29±0.1 g/cm3(Predicted)
storage temp.  2-8°C
pka 16.94±0.30(Predicted)
Major Application pharmaceutical (small molecule)
InChI 1S/C16H23N3O2S/c1-17-7-6-14-11-18-16-5-4-13(10-15(14)16)12-22(20,21)19-8-2-3-9-19/h4-5,10-11,17-18H,2-3,6-9,12H2,1H3
InChIKey IREINZNGILEJRP-UHFFFAOYSA-N
SMILES [S](=O)(=O)(N3CCCC3)Cc1cc2c([nH]cc2CCNC)cc1

Safety Data

WGK Germany  WGK 3
HS Code  2933997500
Storage Class 11 - Combustible Solids

Hazard Information

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