Analyte Name

Elobixibat

CAS Number

439087-18-0

Molecular Formula

C36 H45 N3 O7 S2

Molecular Weight

695.888

Accurate Mass

695.27

SMILES

CCCCC1(CCCC)CN(c2ccccc2)c3cc(SC)c(OCC(=O)N[C@@H](C(=O)NCC(=O)O)c4ccccc4)cc3S(=O)(=O)C1

InChI

InChI=1S/C36H45N3O7S2/c1-4-6-18-36(19-7-5-2)24-39(27-16-12-9-13-17-27)28-20-30(47-3)29(21-31(28)48(44,45)25-36)46-23-32(40)38-34(26-14-10-8-11-15-26)35(43)37-22-33(41)42/h8-17,20-21,34H,4-7,18-19,22-25H2,1-3H3,(H,37,43)(H,38,40)(H,41,42)/t34-/m1/s1

IUPAC

2-[[(2R)-2-[[2-[(3,3-dibutyl-7-methylsulfanyl-1,1-dioxo-5-phenyl-2,4-dihydro-1?^{6},5-benzothiazepin-8-yl)oxy]acetyl]amino]-2-phenylacetyl]amino]acetic acid

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

API

Product Format

Neat