Molecular Weight (g/mol)

401.9

Molecular Formula

C17H20ClNO6S

InChI

InChI=1S/C16H16ClNO3.CH4O3S/c17-15-11-5-6-18-8-13(9-1-3-10(19)4-2-9)12(11)7-14(20)16(15)21;1-5(2,3)4/h1-4,7,13,18-21H,5-6,8H2;1H3,(H,2,3,4)

InChIKey

CVKUMNRCIJMVAR-UHFFFAOYSA-N

SMILES

CS(=O)(=O)O.C1CNCC(C2=CC(=C(C(=C21)Cl)O)O)C3=CC=C(C=C3)O

IUPAC Name

9-chloro-5-(4-hydroxyphenyl)-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol;methanesulfonic acid

Exact Mass (Da)

401.0699862

Monoisotopic Mass (Da)

401.0699862