Elobixibat

CAS Registry Number®

439087-18-0

CAS Name

Elobixibat

Molecular Formula

C36H45N3O7S2

Molecular Mass

695.89

Cite this Page

Elobixibat.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=439087-18-0 (retrieved 2024-11-21) (CAS RN: 439087-18-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

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

InChIKey

InChIKey=XFLQIRAKKLNXRQ-UUWRZZSWSA-N

SMILES

O=S1(=O)C=2C(N(CC(CCCC)(CCCC)C1)C3=CC=CC=C3)=CC(SC)=C(OCC(N[C@@H](C(NCC(O)=O)=O)C4=CC=CC=C4)=O)C2

Canonical SMILES

O=C(O)CNC(=O)C(NC(=O)COC=1C=C2C(=CC1SC)N(C=3C=CC=CC3)CC(CCCC)(CCCC)CS2(=O)=O)C=4C=CC=CC4

Other Names for this Substance

  • Glycine, (2R)-N-[2-[[3,3-dibutyl-2,3,4,5-tetrahydro-7-(methylthio)-1,1-dioxido-5-phenyl-1,5-benzothiazepin-8-yl]oxy]acetyl]-2-phenylglycyl-
  • Glycine, (2R)-N-[[[3,3-dibutyl-2,3,4,5-tetrahydro-7-(methylthio)-1,1-dioxido-5-phenyl-1,5-benzothiazepin-8-yl]oxy]acetyl]-2-phenylglycyl-
  • (2R)-N-[2-[[3,3-Dibutyl-2,3,4,5-tetrahydro-7-(methylthio)-1,1-dioxido-5-phenyl-1,5-benzothiazepin-8-yl]oxy]acetyl]-2-phenylglycylglycine
  • Elobixibat
  • AZD 7806

View All

Deleted or Replaced CAS Registry Numbers

1195404-87-5, 1352088-51-7, 2915502-38-2

CAS INSIGHTSTM
Targeted protein degrader structure, illustration