English name: Tauroursodeoxycholic acid

CAS number: 14605-22-2

Molecular formula: C26H45NO6S

Molecular weight: 499.7

EINECS number: 1308068-626-2

MDL No. : MFCD00069496

Stats

Melting point 173-175°C

Density 1.216± 0.06g /cm3(Predicted)

Refractive index 46 ° (C=1, EtOH)

Storage conditions 15-25℃

Soluble in DMSO (up to 30 mg/ml) or in Ethanol (up to 20 mg/ml with warming)

Form solid

Acidity coefficient (pKa)1.42±0.50(Predicted)

Color White

Stable for 1 year from date of purchase as supplied. Solutions in DMSO or ethanol may be stored at -20°C for up to 1 month.

InChIKeyBHTRKEVKTKCXOH-LBSADWJPSA-N

SMILES[C@@]12([H])CC[C@H]([C@H](C)CCC(=O)NCCS(=O)(=O)O)[C@@]1(C)CC[C@]1([H])[C@@]3(C)CC[C@@H](O)C[C@@]3([H])C[C@H](O)[C@ @] and [H] | & 1-0, 4,5,18,22,24,28,31,34,36, r |

Safety information

Safety Instructions 22-24/25

WGK Germany2

RTECS number KI7372500

Customs Code 29242990

Toxic mouse, LD50, intravenous, 350 mg/kg (350 mg/kg), Japanese Kokai Tokyo Koho Patents. Vol. # 92-235918,