CAS: 439087-18-0 - Elobixibat

Formula: C₃₆H₄₅N₃O₇S₂

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

InChI key: InChIKey=XFLQIRAKKLNXRQ-UUWRZZSWSA-N

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

Synonyms:

• 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-
• AZD 7806
• 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-
• Elobixibat
• (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

CAS: 439087-18-0

• Formula: C₃₆H₄₅N₃O₇S₂
• Molecular weight: 695.89

Elobixibat

CAS: 439087-18-0

• Formula: C₃₆H₄₅N₃O₇S₂
• Color and Shape: Neat
• Molecular weight: 695.888

Elobixibat

CAS: 439087-18-0

Elobixibat is a drug that has been studied for its potential to treat cancer, chronic …

• Formula: C₃₆H₄₅N₃O₇S₂
• Purity: Min. 95%
• Molecular weight: 695.9 g/mol

Elobixibat

CAS: 439087-18-0

Elobixibat (A 3309) blocks IBAT in mice/humans/dogs (IC50: 0.13/0.53/5.8 nM); used for constipation research.

• Formula: C₃₆H₄₅N₃O₇S₂
• Purity: 97.43% - 97.47%
• Color and Shape: Solid
• Molecular weight: 695.89