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(-)-PX20606 trans isomer

Cas Number: 1268244-88-7 Compound CID: 50943003

Formula: C₂₉H₂₂Cl₃NO₄ Molecular Weight: 554.85

IUPAC Name: 4-[2-[2-chloro-4-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]phenyl]cyclopropyl]benzoic acid

SMILES: C1CC1C2=C(C(=NO2)C3=C(C=CC=C3Cl)Cl)COC4=CC(=C(C=C4)C5CC5C6=CC=C(C=C6)C(=O)O)Cl

InChIKey: XBUXXJUEBFDQHD-UHFFFAOYSA-N

InChI: InChI=1S/C29H22Cl3NO4/c30-23-2-1-3-24(31)26(23)27-22(28(37-33-27)16-6-7-16)14-36-18-10-11-19(25(32)12-18)21-13-20(21)15-4-8-17(9-5-15)29(34)35/h1-5,8-show more

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PX20606 trans racemate

Grade & Purity:

≥99%

Cas Number: 1268244-85-4 Compound CID: 118374999

Formula: C₂₉H₂₂Cl₃NO₄ Molecular Weight: 554.8

IUPAC Name: 4-[2-[2-chloro-4-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]phenyl]cyclopropyl]benzoic acid

SMILES: C1CC1C2=C(C(=NO2)C3=C(C=CC=C3Cl)Cl)COC4=CC(=C(C=C4)C5CC5C6=CC=C(C=C6)C(=O)O)Cl

InChIKey: XBUXXJUEBFDQHD-UHFFFAOYSA-N

InChI: InChI=1S/C29H22Cl3NO4/c30-23-2-1-3-24(31)26(23)27-22(28(37-33-27)16-6-7-16)14-36-18-10-11-19(25(32)12-18)21-13-20(21)15-4-8-17(9-5-15)29(34)35/h1-5,8-show more

Synonyms: 4-(2-(2-Chloro-4-((5-cyclopropyl-3-(2,6-dichlorophenyl)-4-isoxazolyl)methoxy)phenyl)cyclopropyl)benzoic acid | 4-[(1S...

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Glyco-Obeticholic acid

Grade & Purity:

≥98%

Cas Number: 863239-60-5 Compound CID: 121322333

Formula: C₂₈H₄₇NO₅ Molecular Weight: 477.68

IUPAC Name: 2-[[(4R)-4-[(3R,5S,6R,7R,8S,9S,10S,13R,14S,17R)-6-ethyl-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]show more

SMILES: CCC1C2CC(CCC2(C3CCC4(C(C3C1O)CCC4C(C)CCC(=O)NCC(=O)O)C)C)O

InChIKey: MTLPUOZJBFHNSO-FCWTVGIUSA-N

InChI: InChI=1S/C28H47NO5/c1-5-18-22-14-17(30)10-12-28(22,4)21-11-13-27(3)19(7-8-20(27)25(21)26(18)34)16(2)6-9-23(31)29-15-24(32)33/h16-22,25-26,30,34H,5-15Hshow more

Synonyms: 6-Egcdca | BDBM50250872 | UNII-O2MZK6V9LQ | Glycine, N-[(3a,5b,6a,7a)-6-ethyl-3,7-dihydroxy-24-oxocholan-24-yl]- | AK...

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NDB

Grade & Purity:

≥98%

Cas Number: 1660153-08-1

Formula: C₂₆H₂₈Cl₂N₂O₂ Molecular Weight: 471.42

SMILES: O=C(N(C1=CC=C(O)C(C(C)(C)C)=C1)CC2=CC=CC=C2)C3=C(Cl)C=C(N(C)C)C=C3Cl

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Tauro-β-muricholic acid sodium

Grade & Purity:

≥95%

Cas Number: 145022-92-0 Compound CID: 132285209

Formula: C₂₆H₄₄NNaO₇S Molecular Weight: 537.68

IUPAC Name: sodium;2-[[(4R)-4-[(3R,5R,6S,7R,8S,9S,10R,13R,14S,17R)-3,6,7-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[show more

SMILES: CC(CCC(=O)NCCS(=O)(=O)[O-])C1CCC2C1(CCC3C2C(C(C4C3(CCC(C4)O)C)O)O)C.[Na+]

InChIKey: NYXROOLWUZIWRB-GPHZYVDLSA-M

InChI: InChI=1S/C26H45NO7S.Na/c1-15(4-7-21(29)27-12-13-35(32,33)34)17-5-6-18-22-19(9-11-25(17,18)2)26(3)10-8-16(28)14-20(26)23(30)24(22)31;/h15-20,22-24,28,3show more

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EDP-305

Grade & Purity:

≥96%

Cas Number: 1933507-63-1 Compound CID: 156583184

Formula: C₃₆H₅₈N₂O₅S Molecular Weight: 630.92

IUPAC Name: 1-(4-tert-butylphenyl)sulfonyl-3-[(3R)-3-[(3S,5R,6R,7R,8R,9S,10S,13R,14S,17R)-6-ethyl-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tshow more

SMILES: CCC1C2CC(CCC2(C3CCC4(C(C3C1O)CCC4C(C)CCNC(=O)NS(=O)(=O)C5=CC=C(C=C5)C(C)(C)C)C)C)O

InChIKey: SJKLCUGQVVYDCX-YNNXSQSESA-N

InChI: InChI=1S/C36H58N2O5S/c1-8-26-30-21-24(39)15-18-36(30,7)29-16-19-35(6)27(13-14-28(35)31(29)32(26)40)22(2)17-20-37-33(41)38-44(42,43)25-11-9-23(10-12-25show more

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FXR agonist 5

Grade & Purity:

≥99%

Cas Number: 2414008-05-0

Formula: C₄₀H₅₃N₅O₅ Molecular Weight: 683.88

SMILES: CC1=C(OC)C=CC(C23CCC(CC2)(CC3)CN(C4=CC(C5=CN(N=C5)C(C)(C)C)=CC=N4)C([C@@H]6CC[C@H](CC6)OC(N7CC(C7)O)=O)=O)=C1

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Tauro-Obeticholic acid

Grade & Purity:

≥98%

Cas Number: 863239-61-6 Compound CID: 122201312

Formula: C₂₈H₄₉NO₆S Molecular Weight: 527.76

SMILES: CC[C@@H]1[C@@H]2C[C@@H](CC[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3[C@@H]1O)CC[C@@H]4[C@H](C)CCC(=O)NCCS(=O)(=O)O)C)C)O

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Obeticholic acid-d5

Cas Number: 1992000-80-2

Formula: C₂₆H₃₉D₅O₄ Molecular Weight: 425.66

SMILES: C[C@@]12[C@]3([H])[C@]([C@@H]([C@@H]([C@]1([H])C[C@@H](CC2)O)C([2H])([2H])C([2H])([2H])[2H])O)([H])[C@@]4([H])[C@](CC3)([C@@](CC4)([H])[C@H](C)CCC(O)=show more

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INT-767

Grade & Purity:

≥98%

Cas Number: 1000403-03-1 Compound CID: 23712772

Formula: C₂₅H₄₃NaO₆S Molecular Weight: 494.66

IUPAC Name: sodium;[(3R)-3-[(3R,5S,6R,7R,8S,9S,10S,13R,14S,17R)-6-ethyl-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopentshow more

SMILES: CCC1C2CC(CCC2(C3CCC4(C(C3C1O)CCC4C(C)CCOS(=O)(=O)[O-])C)C)O.[Na+]

InChIKey: TXIWHUPIUUZFFK-PMWRKVJASA-M

InChI: InChI=1S/C25H44O6S.Na/c1-5-17-21-14-16(26)8-11-25(21,4)20-9-12-24(3)18(6-7-19(24)22(20)23(17)27)15(2)10-13-31-32(28,29)30;/h15-23,26-27H,5-14H2,1-4H3,show more

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11-Deoxyalisol B

Grade & Purity:

≥98%

Cas Number: 155073-73-7

Formula: C₃₀H₄₈O₃ Molecular Weight: 456.70

Synonyms: CHEMBL4577420 | (5R,8S,9S,10R,14R)-17-[(2R,4S)-4-[(2R)-3,3-dimethyloxiran-2-yl]-4-hydroxybutan-2-yl]-4,4,8,10,14-pent...

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Ursodeoxycholic Acid, Sodium Salt

Grade & Purity:

≥98%

Cas Number: 2898-95-5

Formula: C₂₄H₃₉NaO₄ Molecular Weight: 414.55

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