Ursodoxicoltaurine information

Ursodoxicoltaurine
Names
	IUPAC name 2-(3α,7β-Dihydroxy-5β-cholan-24-amido)ethane-1-sulfonic acid
	Systematic IUPAC name 2-{(4R)-4-[(1R,3aS,3bR,4S,5aS,7R,9aS,9bS,11aR)-4,7-Dihydroxy-9a,11a-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-1-yl]pentanamido}ethane-1-sulfonic acid
	Other names Tauroursodeoxycholic acid; TUDCA; 3α,7β-Dihydroxy-5β-cholanoyltaurine; UR 906; Ursodeoxycholyltaurine; Taurursodiol
Identifiers
CAS Number	14605-22-2 ;
3D model (JSmol)	Interactive image;
ChEBI	CHEBI:80774 ;
ChEMBL	ChEMBL272427 ;
ChemSpider	8024531 ;
IUPHAR/BPS	4746;
KEGG	D11836;
PubChem CID	9848818;
UNII	60EUX8MN5X ;
CompTox Dashboard (EPA)	DTXSID80932754 ;
	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,4-15H2,1-3H3,(H,27,30)(H,31,32,33)/t16-,17+,18-,19-,20+,21+,22+,24+,25+,26-/m1/s1 Key: BHTRKEVKTKCXOH-LBSADWJPSA-N ; InChI=1/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,4-15H2,1-3H3,(H,27,30)(H,31,32,33)/t16-,17+,18-,19-,20+,21+,22+,24+,25+,26-/m1/s1 Key: BHTRKEVKTKCXOH-LBSADWJPBX;
	SMILES C[C@H](CCC( = O)NCCS( = O)( = O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C;
Properties
Chemical formula	C26H45NO6S
Molar mass	499.71 g·mol−1
Pharmacology
ATC code	A05AA05 (WHO)
	Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa). verify (what is ?) Infobox references

Ursodoxicoltaurine is the international nonproprietary name (INN) for the pharmaceutical form of tauroursodeoxycholic acid (TUDCA). It is also known as taurursodiol. Tauroursodeoxycholic acid is a naturally occurring hydrophilic bile acid which is the taurine conjugated form of ursodeoxycholic acid (UDCA). Humans have only trace amounts of tauroursodeoxycholic acid but bears have large amounts of tauroursodeoxycholic acid and ursodeoxycholic acid in their bile.^[1]

^ Hagey LR, Crombie DL, Espinosa E, Carey MC, Igimi H, Hofmann AF (November 1993). "Ursodeoxycholic acid in the Ursidae: biliary bile acids of bears, pandas, and related carnivores". Journal of Lipid Research. 34 (11): 1911–7. doi:10.1016/S0022-2275(20)35109-9. PMID 8263415.

[pmid8263415-1] Hagey LR, Crombie DL, Espinosa E, Carey MC, Igimi H, Hofmann AF (November 1993). "Ursodeoxycholic acid in the Ursidae: biliary bile acids of bears, pandas, and related carnivores". Journal of Lipid Research. 34 (11): 1911–7. doi:10.1016/S0022-2275(20)35109-9. PMID 8263415.

Ursodoxicoltaurine information

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Ursodoxicoltaurine

ALS

ATC code A05

ATC code N07

Brian Wallach