Maralixibat Chloride, CAS 228113-66-4

Maralixibat Chloride, CAS 228113-66-4, Stock 846g, Assay 98.62%, White powder, Water 0.24%, Single Impurity 0.32%.

Maralixibat Chloride

Maralixibat Chloride is a novel inhibitor of ileal bile acid transport and taurocholate uptake.

Product Details:

Name: Maralixibat Chloride

CAS#: 228113-66-4 (Cl)

Chemical Formula: C40H56ClN3O4S

Exact Mass: 709.368

Molecular Weight: 710.415

Elemental Analysis: C, 67.63; H, 7.95; Cl, 4.99; N, 5.91; O, 9.01; S, 4.51

Specification:

Synonym: LUM-001; LUM 001; LUM001

IUPAC/Chemical Name: 1-(4-((4-((4R,5R)-3,3-dibutyl-7-(dimethylamino)-4-hydroxy-1,1-dioxido-2,3,4,5-tetrahydrobenzo[b]thiepin-5-yl)phenoxy)methyl)benzyl)-1,4-diazabicyclo[2.2.2]octan-1-ium chloride

InChi Key: POMVPJBWDDJCMP-RUKDTIIFSA-M

InChi Code: InChI=1S/C40H56N3O4S.ClH/c1-5-7-19-40(20-8-6-2)30-48(45,46)37-18-15-34(41(3)4)27-36(37)38(39(40)44)33-13-16-35(17-14-33)47-29-32-11-9-31(10-12-32)28-43-24-21-42(22-25-43)23-26-43;/h9-18,27,38-39,44H,5-8,19-26,28-30H2,1-4H3;1H/q+1;/p-1/t38-,39-;/m1./s1

SMILES Code: O=S1(C2=CC=C(N(C)C)C=C2[C@@H](C3=CC=C(OCC4=CC=C(C=C4)C[N+]5(CC6)CCN6CC5)C=C3)[C@@H](O)C(CCCC)(CCCC)C1)=O.[Cl-]

Appearance: white powder

Purity: >98% (or refer to the Certificate of Analysis)

Shipping Condition: Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.

Storage Condition: Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).

Solubility: Soluble in DMSO

Shelf Life: >3 years if stored properly

Drug Formulation: This drug may be formulated in DMSO

Stock Solution Storage: 0 - 4 C for short term (days to weeks), or -20 C for long term (months).

HS Tariff Code: 2934.99.9001

Certification: