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Taurinated bile acids and derivatives

Description:

Bile acid derivatives containing a taurine conjugated to the bile acid moiety.

Ancestors:

Organic compounds ⮕ Lipids and lipid-like molecules ⮕ Steroids and steroid derivatives ⮕ Bile acids, alcohols and derivatives ⮕ Taurinated bile acids and derivatives
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Items 1-12 of 19

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  1. Taurolithocholic Acid(TLCA)
    Cas Number: 516-90-5
    Formula:  C26H45NO5S        Molecular Weight: 483.70
    IUPAC Name:  2-[[(4R)-4-[(3R,5R,8R,9S,10S,13R,14S,17R)-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]show more
    SMILES:  CC(CCC(=O)NCCS(=O)(=O)O)C1CCC2C1(CCC3C2CCC4C3(CCC(C4)O)C)C
    InChIKey: QBYUNVOYXHFVKC-GBURMNQMSA-N
    InChI:  InChI=1S/C26H45NO5S/c1-17(4-9-24(29)27-14-15-33(30,31)32)21-7-8-22-20-6-5-18-16-19(28)10-12-25(18,2)23(20)11-13-26(21,22)3/h17-23,28H,4-16H2,1-3H3,(H,show more
    Synonyms: Cholic acid Impurity 26 | Taurolithocholate | Lithocholyltaurine | taurolithocholic acid-3-sulphate
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  2. Taurocholic acid sodium salt hydrate
    Cas Number: 345909-26-4        EC Number: 205-653-7
    Formula:  C26H44NNaO7S · xH2O        Molecular Weight: 537.68 (anhydrous basis)
    IUPAC Name:  sodium;2-[[(4R)-4-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopentshow more
    SMILES:  [Na+].[H]O[H].[H][C@@]12C[C@H](O)CC[C@]1(C)[C@@]3([H])C[C@H](O)[C@]4(C)[C@H](CC[C@@]4([H])[C@]3([H])[C@H](O)C2)[C@H](C)CCC(=O)NCCS([O-])(=O)=O
    InChIKey: RDAJAQDLEFHVNR-NEMAEHQESA-M
    InChI:  InChI=1S/C26H45NO7S.Na.H2O/c1-15(4-7-23(31)27-10-11-35(32,33)34)18-5-6-19-24-20(14-22(30)26(18,19)3)25(2)9-8-17(28)12-16(25)13-21(24)29;;/h15-22,24,28show more
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  3. Taurohyodeoxycholic acid
      Grade & Purity: 
    • ≥98%
    Cas Number: 2958-04-5        Compound CID:  119046
    Formula:  C26H45NO6S        Molecular Weight: 499.7
    IUPAC Name:  2-[[(4R)-4-[(3R,5R,6S,8S,9S,10R,13R,14S,17R)-3,6-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrenshow more
    SMILES:  CC(CCC(=O)NCCS(=O)(=O)O)C1CCC2C1(CCC3C2CC(C4C3(CCC(C4)O)C)O)C
    InChIKey: HMXPOCDLAFAFNT-BHYUGXBJSA-N
    InChI:  InChI=1S/C26H45NO6S/c1-16(4-7-24(30)27-12-13-34(31,32)33)19-5-6-20-18-15-23(29)22-14-17(28)8-10-26(22,3)21(18)9-11-25(19,20)2/h16-23,28-29H,4-15H2,1-3show more
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  4. Taurolithocholic Acid(TLCA)
    Cas Number: 516-90-5
    Formula:  C26H45NO5S        Molecular Weight: 483.70
    IUPAC Name:  2-[[(4R)-4-[(3R,5R,8R,9S,10S,13R,14S,17R)-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]show more
    SMILES:  CC(CCC(=O)NCCS(=O)(=O)O)C1CCC2C1(CCC3C2CCC4C3(CCC(C4)O)C)C
    InChIKey: QBYUNVOYXHFVKC-GBURMNQMSA-N
    InChI:  InChI=1S/C26H45NO5S/c1-17(4-9-24(29)27-14-15-33(30,31)32)21-7-8-22-20-6-5-18-16-19(28)10-12-25(18,2)23(20)11-13-26(21,22)3/h17-23,28H,4-16H2,1-3H3,(H,show more
    Synonyms: Cholic acid Impurity 26
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  5. tauroursodeoxycholic acid
    Cas Number: 14605-22-2        Compound CID:  9848818
    Formula:  C26H45NO6S        Molecular Weight: 499.71
    IUPAC Name:  2-[[(4R)-4-[(3R,5S,7S,8R,9S,10S,13R,14S,17R)-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrenshow more
    SMILES:  CC(CCC(=O)NCCS(=O)(=O)O)C1CCC2C1(CCC3C2C(CC4C3(CCC(C4)O)C)O)C
    InChIKey: BHTRKEVKTKCXOH-LBSADWJPSA-N
    InChI:  InChI=1S/C26H45NO6S/c1-16(4-7-23(30)27-12-13-34(31,32)33)19-5-6-20-24-21(9-11-26(19,20)3)25(2)10-8-18(28)14-17(25)15-22(24)29/h16-22,24,28-29H,4-15H2,show more
    Synonyms: .alpha.-Methyl-3,4-(methylenedioxy)phenethylamine hydrochloride | 2-{[(3alpha,5beta,7beta)-3,7-dihydroxy-24-oxocholan...
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  6. Sodium taurocholate hydrate
    Cas Number: 345909-26-4        EC Number: 205-653-7
    Formula:  C26H44NNaO7S · xH2O        Molecular Weight: 537.68 (anhydrous basis)
    IUPAC Name:  sodium;2-[[(4R)-4-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopentshow more
    SMILES:  [Na+].[H]O[H].[H][C@@]12C[C@H](O)CC[C@]1(C)[C@@]3([H])C[C@H](O)[C@]4(C)[C@H](CC[C@@]4([H])[C@]3([H])[C@H](O)C2)[C@H](C)CCC(=O)NCCS([O-])(=O)=O
    InChIKey: RDAJAQDLEFHVNR-NEMAEHQESA-M
    InChI:  InChI=1S/C26H45NO7S.Na.H2O/c1-15(4-7-23(31)27-10-11-35(32,33)34)18-5-6-19-24-20(14-22(30)26(18,19)3)25(2)9-8-17(28)12-16(25)13-21(24)29;;/h15-22,24,28show more
    Synonyms: Taurocholic acid sodium salt hydrate | WOX5F63THK | Sodium taurocholate hydrate | MLS002153446 | Sodium taurocholate ...
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  7. Taurocholic acid sodium salt hydrate
      Grade & Purity: 
    • 10mM in DMSO
    Cas Number: 345909-26-4        EC Number: 205-653-7
    Formula:  C26H44NNaO7S · xH2O        Molecular Weight: 537.68 (anhydrous basis)
    IUPAC Name:  sodium;2-[[(4R)-4-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopentshow more
    SMILES:  [Na+].[H]O[H].[H][C@@]12C[C@H](O)CC[C@]1(C)[C@@]3([H])C[C@H](O)[C@]4(C)[C@H](CC[C@@]4([H])[C@]3([H])[C@H](O)C2)[C@H](C)CCC(=O)NCCS([O-])(=O)=O
    InChIKey: RDAJAQDLEFHVNR-NEMAEHQESA-M
    InChI:  InChI=1S/C26H45NO7S.Na.H2O/c1-15(4-7-23(31)27-10-11-35(32,33)34)18-5-6-19-24-20(14-22(30)26(18,19)3)25(2)9-8-17(28)12-16(25)13-21(24)29;;/h15-22,24,28show more
    Synonyms: Taurocholic acid sodium salt hydrate|Sodium taurocholate hydrate|345909-26-4|312693-83-7|sodium taurocholate monohydr...
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  8. Taurochenodeoxycholic acid
    Cas Number: 516-35-8        Compound CID:  387316
    Formula:  C26H45NO6S        Molecular Weight: 499.72
    IUPAC Name:  2-[[(4R)-4-[(3R,5S,7R,8R,9S,10S,13R,14S,17R)-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrenshow more
    SMILES:  CC(CCC(=O)NCCS(=O)(=O)O)C1CCC2C1(CCC3C2C(CC4C3(CCC(C4)O)C)O)C
    InChIKey: BHTRKEVKTKCXOH-BJLOMENOSA-N
    InChI:  InChI=1S/C26H45NO6S/c1-16(4-7-23(30)27-12-13-34(31,32)33)19-5-6-20-24-21(9-11-26(19,20)3)25(2)10-8-18(28)14-17(25)15-22(24)29/h16-22,24,28-29H,4-15H2,show more
    Synonyms: TAUROCHENODEOXYCHOLIC ACID|516-35-8|Taurochenodeoxycholate|Taurochenodesoxycholic acid|Chenyltaurine|Chenodeoxycholyl...
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  9. Tauroursodeoxycholic Acid
    Cas Number: 14605-22-2        Compound CID:  9848818
    Formula:  C26H45NO6S        Molecular Weight: 499.71
    IUPAC Name:  2-[[(4R)-4-[(3R,5S,7S,8R,9S,10S,13R,14S,17R)-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrenshow more
    SMILES:  CC(CCC(=O)NCCS(=O)(=O)O)C1CCC2C1(CCC3C2C(CC4C3(CCC(C4)O)C)O)C
    InChIKey: BHTRKEVKTKCXOH-LBSADWJPSA-N
    InChI:  InChI=1S/C26H45NO6S/c1-16(4-7-23(30)27-12-13-34(31,32)33)19-5-6-20-24-21(9-11-26(19,20)3)25(2)10-8-18(28)14-17(25)15-22(24)29/h16-22,24,28-29H,4-15H2,show more
    Synonyms: .alpha.-Methyl-3,4-(methylenedioxy)phenethylamine hydrochloride | 2-{[(3alpha,5beta,7beta)-3,7-dihydroxy-24-oxocholan...
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  10. Tauroursodeoxycholate Sodium
    Cas Number: 35807-85-3        Compound CID:  46782978
    Formula:  C26H44NO6SNa        Molecular Weight: 521.7
    IUPAC Name:  sodium;2-[[(4R)-4-[(3R,5S,7S,8R,9S,10S,13R,14S,17R)-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenshow more
    SMILES:  CC(CCC(=O)NCCS(=O)(=O)[O-])C1CCC2C1(CCC3C2C(CC4C3(CCC(C4)O)C)O)C.[Na+]
    InChIKey: IYPNVUSIMGAJFC-JUWYWQLMSA-M
    InChI:  InChI=1S/C26H45NO6S.Na/c1-16(4-7-23(30)27-12-13-34(31,32)33)19-5-6-20-24-21(9-11-26(19,20)3)25(2)10-8-18(28)14-17(25)15-22(24)29;/h16-22,24,28-29H,4-1show more
    Synonyms: 35807-85-3|Sodium tauroursodeoxycholate|Sodium Tauroursodeoxycholate (TUDC)|Tauroursodeoxycholate Sodium|Tauroursodeo...
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  11. Sodium taurocholate
      Grade & Purity: 
    • 10mM in DMSO
    Cas Number: 145-42-6        EC Number: 205-653-7        Compound CID:  23666345
    Formula:  C26H44NNaO7S        Molecular Weight: 537.68
    IUPAC Name:  sodium;2-[[(4R)-4-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopentshow more
    SMILES:  CC(CCC(=O)NCCS(=O)(=O)[O-])C1CCC2C1(C(CC3C2C(CC4C3(CCC(C4)O)C)O)O)C.[Na+]
    InChIKey: JAJWGJBVLPIOOH-IZYKLYLVSA-M
    InChI:  InChI=1S/C26H45NO7S.Na/c1-15(4-7-23(31)27-10-11-35(32,33)34)18-5-6-19-24-20(14-22(30)26(18,19)3)25(2)9-8-17(28)12-16(25)13-21(24)29;/h15-22,24,28-30H,show more
    Synonyms: sodium taurocholate|145-42-6|Taurocholate sodium|Taurocholate sodium salt|Monosodium N-choloyltaurinate|Taurocholic a...
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  12. Taurocholic acid sodium salt hydrate
    Cas Number: 345909-26-4        EC Number: 205-653-7
    Formula:  C26H44NNaO7S · xH2O        Molecular Weight: 537.68 (anhydrous basis)
    IUPAC Name:  sodium;2-[[(4R)-4-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopentshow more
    SMILES:  [Na+].[H]O[H].[H][C@@]12C[C@H](O)CC[C@]1(C)[C@@]3([H])C[C@H](O)[C@]4(C)[C@H](CC[C@@]4([H])[C@]3([H])[C@H](O)C2)[C@H](C)CCC(=O)NCCS([O-])(=O)=O
    InChIKey: RDAJAQDLEFHVNR-NEMAEHQESA-M
    InChI:  InChI=1S/C26H45NO7S.Na.H2O/c1-15(4-7-23(31)27-10-11-35(32,33)34)18-5-6-19-24-20(14-22(30)26(18,19)3)25(2)9-8-17(28)12-16(25)13-21(24)29;;/h15-22,24,28show more
    Synonyms: AKOS025310496 | HMS2234O08 | Taurocholic Acid (sodium hydrate) | Taurocholic acid sodium salt hydrate | Sodium tauroc...
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