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Cas Database |
| Name |
Sodium taurodeoxylate |
EINECS | 214-652-0 |
| CAS No. | 1180-95-6 | Density | N/A |
| PSA | 135.14000 | LogP | 4.52640 |
| Solubility | Soluble in water | Melting Point |
168 °C (dec.)(lit.) |
| Formula | C26H44NNaO6S | Boiling Point | N/A |
| Molecular Weight | 521.694 | Flash Point | N/A |
| Transport Information | N/A | Appearance | white to almost white crystalline powder |
| Safety | 24/25 | Risk Codes | 37 |
| Molecular Structure |
|
Hazard Symbols |
 Xi
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| Synonyms |
Sodium taurodesoxycholate;Taurodeoxycholate sodium;Taurine,N-(3a,12a-dihydroxy-5b-cholan-24-oyl)-, monosodium salt (8CI);Taurodeoxycholic acid sodium salt (6CI);STDC;Sodium 3a,12a-dihydroxy-5b-cholanoyltaurate;Sodiumdeoxytaurocholate; |
Article Data | 1 |
Sodium taurodeoxylate Chemical Properties
Molecular Structure of Sodium taurodeoxylate (CAS No.1180-95-6):
Molecular Formula: C26H44NNaO6S
Molecular Weight: 521.6854
CAS No: 1180-95-6
H bond acceptors: 7
H bond donors: 4
Freely Rotating Bonds: 9
Polar Surface Area: 101.52 Å2
IUPAC Name: Sodium 2-[4-(3,12-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-
tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoylamino]ethanesulfonate
InChI: InChI=1/C26H45NO6S.Na/c1-16(4-9-24(30)27-12-13-34(31,32)33)20-7-8-21-19-6-5-17-14-18(28)10-11-25(17,2)22(19)15-23(29)26(20,21)3;/h16-23,28-29H,4-15H2,1-3H3,(H,27,30)(H,31,32,33);/q;+1/p-1/t16-,17-,18-,19+,20-,21+,22+,23+,25+,26-;/m1./s1
InChIKey: YXHRQQJFKOHLAP-YNWMXILPBG
Std. InChI: InChI=1S/C26H45NO6S.Na/c1-16(4-9-24(30)27-12-13-34(31,32)33)20-7-8-21-19-6-5-17-14-18(28)10-11-25(17,2)22(19)15-23(29)26(20,21)3;/h16-23,28-29H,4-15H2,1-3H3,(H,27,30)(H,31,32,33);/q;+1/p-1/t16-,17-,18-,19+,20-,21+,22+,23+,25+,26-;/m1./s1
Std. InChIKey: YXHRQQJFKOHLAP-FVCKGWAHSA-M
Classification Code: Cholagogues and choleretics;Detergents;Gastrointestinal Agents;Surface-Active Agents
Sodium taurodeoxylate Safety Profile
Hazard Codes: 
Xi
Risk Statements: 37
R37:Irritating to respiratory system
WGK Germany: 3
F: 3-10
Sodium taurodeoxylate Specification
Sodium taurodeoxylate (CAS No.1180-95-6), its synonyms are Taurodeoxycholic acid sodium salt ; Sodium 2-[[(3a,5b,12a)-3,12-dihydroxy-24-oxocholan-24-yl]amino]ethane-1-sulphonate .
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