Elobixibat Hydrate

Impurity

This molecule is a impurity of Elobixibat.

Impurity

Elobixibat Hydrate

Cat. No. ANTPRD12635CAS 1633824-78-8Please EnquireSynthesized

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Technical Data

Cat. No.ANTPRD12635

CAS1633824-78-8

Mol. FormulaC₃₆H₄₇N₃O₈S₂

Mol. Weight713.919 g/mol

IUPAC2-[[(2R)-2-[[2-[(3,3-dibutyl-7-methylsulfanyl-1,1-dioxo-5-phenyl-2,4-dihydro-1lambda6,5-benzothiazepin-8-yl)oxy]acetyl]amino]-2-phenylacetyl]amino]acetic acid;hydrate

SMILESCCCCC1(CCCC)CN(c2ccccc2)c2cc(SC)c(OCC(=O)N[C@@H](C(=O)NCC(=O)O)c3ccccc3)cc2S(=O)(=O)C1.O

InChIInChI=1S/C36H45N3O7S2.H2O/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);1H2/t34-;/m1./s1

InChI KeyVARDBGNECHECBX-MDYNBEAQSA-N

Description

Overview

Elobixibat Hydrate, Elobixibat, 1633824-78-8, 2-[[(2R)-2-[[2-[(3,3-dibutyl-7-methylsulfanyl-1,1-dioxo-5-phenyl-2,4-dihydro-1lambda6,5-benzothiazepin-8-yl)oxy]acetyl]amino]-2-phenylacetyl]amino]acetic acid;hydrate

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Synonyms

elobixibat hydrateElobixibat monohydrateElobixibat hydrate [MI]Elobixibat hydrate (JAN)ELOBIXIBAT HYDRATE [JAN]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-, hydrate (1:1)((2R)-2-(2-((3,3-Dibutyl-7-(methylsulfanyl)-1,1-dioxo-5-phenyl-2,3,4,5-tetrahydro-1H-1,5-benzothiazepin-8-yl)oxy)acetamido)-2-phenylacetamido)acetic acid monohydrate[(2R)-2-(2-{[3,3-Dibutyl-7-(methylsulfanyl)-1,1-dioxo-5-phenyl-2,3,4,5-tetrahydro-1H-1,5-benzothiazepin-8-yl]oxy}acetamido)-2-phenylacetamido]acetic acid monohydrateGlycine, (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-, hydrate (1:1)(R)-2-(2-(2-((3,3-Dibutyl-7-(methylthio)-1,1-dioxido-5-phenyl-2,3,4,5-tetrahydrobenzo[b][1,4]thiazepin-8-yl)oxy)acetamido)-2-phenylacetamido)acetic acid hydrate