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GSK2330672

GSK2330672 structure

CAS No:
1345982-69-5
Formula:
C28H38N2O7S
Chemical Name:
GSK2330672
Synonyms:
GSK 2330672; GSK-2330672;GSK 2330672;3-[[(3R,5R)-3-butyl-3-ethyl-7-methoxy-1,1-dioxo-5-phenyl-4,5-dihydro-2H-1λ6,4-benzothiazepin-8-yl]methylamino]pentanedioic acid;Pentanedioic acid, 3-((((3R,5R)-3-butyl-3-ethyl-2,3,4,5-tetrahydro-7-methoxy-1,1-dioxido-5-phenyl-1,4-benzothiazepin-8-yl)methyl)amino)-;CS-2639;Iinerixibat;linerixibat
Categories:
Organic Chemistry > Amides

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Description

GSK2330672 has been investigated for the treatment of Diabetes Mellitus, Type 2.

GSK2330672 Basic Attributes

Molecular Weight：

546.68

Exact Mass：

546.23997273

EC Number：

604-604-1

UNII：

386012Z45S

Characteristics

PSA：

150.41000

XLogP3：

5.70860

Density：

1.218±0.06 g/cm3

Boiling Point：

730.8±60.0 °C(Predicted)

PKA：

3.27±0.10

Drug Information

Drug Indication：

Treatment of primary biliary cholangitis

MeSH Entry Terms：

3-((((3R,5R)-3-butyl-3-ethyl-7-(methyloxy)-1,1-dioxido-5-phenyl-2,3,4,5-tetrahydro-1,4-benzothiazepin-8-yl)methyl)amino)pentanedioic acid

GSK2330672 Use and Manufacturing

Use Classification：

Human Drugs -> EU pediatric investigation plans

Computed Properties

Molecular Weight:546.7
XLogP3:-1.6
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:13
Exact Mass:546.23997273
Monoisotopic Mass:546.23997273
Topological Polar Surface Area:150
Heavy Atom Count:38
Complexity:870
Defined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes