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Elobixibat structure, CAS 439087-18-0

Elobixibat

CAS Number439087-18-0

SynonymsUNII-865UEK4EJC; Elobixibat; AZD-7806; Elobixibat [INN]

Molecular FormulaC36H45N3O7S2

Molecular Weight695.9

Purity

Density

Boiling Point

Melting Point

Flash Point

Appearancesolid

EINECS

MSDSChineseEnglish

Symbol

Signal Word

Cat. No.: 2A-1194743 Purity:
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Quality Control of [ 439087-18-0 ] SDS Specification MoL

COA NMR CNMR HPLC LC-MS
Chemical & Physical Properties
CAS Number439087-18-0
Catalog No.2A-1194743
Chinese NameA 3309
SynonymsUNII-865UEK4EJC; Elobixibat; AZD-7806; Elobixibat [INN]
Molecular FormulaC36H45N3O7S2
Molecular Weight695.9
Appearancesolid
Storage Condition2-8°C, sealed, dry
ApplicationElobixibat is a potent ileal bile acid transporter (IBAT) inhibitor with IC50 values ​​of 0.53±0.17 nM (human IBAT), 0.13±0.03 nM (mouse IBAT), and 5.8±1.6 nM (canine IBAT).
PubChem ID15111368
MDL NumberC36H45N3O7S2
SMILESCCCCC1(CCCC)CN(c2ccccc2)c2cc(SC)c(OCC(=O)NC(C(=O)NCC(=O)O)c3ccccc3)cc2S(=O)(=O)C1
InChIInChI=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 KeyXFLQIRAKKLNXRQ-UUWRZZSWSA-N
MSDSmsds/196399_1_439087_18_0.pdf
Transport InfoProduct Name: Elobixibat
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