Sumatriptan[舒马曲坦]

103628-46-2

CAS Name

Sumatriptan

Molecular Formula

C₁₄H₂₁N₃O₂S

Molecular Mass

295.40

Compound Properties

• Melting Point (1)

  169-171 °C

Source(s)

• (1) Drugs – Synonyms and Properties data were obtained from Ashgate Publishing Co. (US)

Other Names and Identifiers

InChI

InChI=1S/C14H21N3O2S/c1-15-20(18,19)10-11-4-5-14-13(8-11)12(9-16-14)6-7-17(2)3/h4-5,8-9,15-16H,6-7,10H2,1-3H3

InChIKey

InChIKey=KQKPFRSPSRPDEB-UHFFFAOYSA-N

SMILES

C(CN(C)C)C=1C=2C(NC1)=CC=C(CS(NC)(=O)=O)C2

Canonical SMILES

O=S(=O)(NC)CC=1C=CC=2NC=C(C2C1)CCN(C)C

Other Names for this Substance