(2R,3R,4S,5R)-3,4,5-Trihydroxytetrahydro-2H-pyran-2-carboxylic Acid Tegaserod

Analyte Name

(2R,3R,4S,5R)-3,4,5-Trihydroxytetrahydro-2H-pyran-2-carboxylic Acid Tegaserod

Molecular Formula

C22 H31 N5 O7

Molecular Weight

477.511

Accurate Mass

477.222

SMILES

CCCCCN\C(=N/[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)C(=O)O)\N\N=C\c2c[nH]c3ccc(OC)cc23

InChI

InChI=1S/C22H31N5O7/c1-3-4-5-8-23-22(26-20-18(30)16(28)17(29)19(34-20)21(31)32)27-25-11-12-10-24-15-7-6-13(33-2)9-14(12)15/h6-7,9-11,16-20,24,28-30H,3-5,8H2,1-2H3,(H,31,32)(H2,23,26,27)/b25-11+/t16-,17-,18+,19-,20+/m1/s1

IUPAC

(2R,3R,4R,5S,6S)-3,4,5-trihydroxy-6-[(E)-[[(2E)-2-[(5-methoxy-1H-indol-3-yl)methylidene]hydrazinyl]-(pentylamino)methylidene]amino]oxane-2-carboxylic acid

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat