Analyte Name

(3S,4R,5R)-1-(4-(8-Chloro-5H-benzo[5,6]cyclohepta[1,2-b]pyridin-11(6H)-ylidene)piperidin-1-yl)-3,4,5,6-tetrahydroxyhexan-2-one

CAS Number

1419972-49-8

Molecular Formula

C25 H29 Cl N2 O5

Molecular Weight

472.961

Accurate Mass

472.176

SMILES

OC[C@@H](O)[C@@H](O)[C@H](O)C(=O)CN1CCC(=C2c3ccc(Cl)cc3CCc4cccnc24)CC1

InChI

InChI=1S/C25H29ClN2O5/c26-18-5-6-19-17(12-18)4-3-16-2-1-9-27-23(16)22(19)15-7-10-28(11-8-15)13-20(30)24(32)25(33)21(31)14-29/h1-2,5-6,9,12,21,24-25,29,31-33H,3-4,7-8,10-11,13-14H2/t21-,24-,25-/m1/s1

IUPAC

(3S,4R,5R)-1-[4-(13-chloro-4-azatricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaen-2-ylidene)piperidin-1-yl]-3,4,5,6-tetrahydroxyhexan-2-one

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat