Basic information
- Name:
Ethanesulfonic acid,2-[[(3a,5b,12a)-3,12-dihydroxy-24-oxocholan-24-yl]amino]-, monosodium salt
- Superlist Name:
- Sodium taurodeoxylate
- CAS No.:
1180-95-6
- Molecular Structure:
![Molecular Structure of 1180-95-6 (Ethanesulfonic acid,2-[[(3a,5b,12a)-3,12-dihydroxy-24-oxocholan-24-yl]amino]-, monosodium salt)](http://www.lookchem.com/300w/2010/073/1180-95-6.jpg)
- Formula:
- C26H44NNaO6S
- Molecular Weight:
- 521.68
- 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;
- EINECS:
- 214-652-0
- Melting Point:
- 168 °C (dec.)(lit.)
- Solubility:
- Soluble in water
- Appearance:
- white to almost white crystalline powder
- Hazard Symbols:
Xi- Risk Codes:
- 37
Famous Chemical Enterprises
-
Livzon -
Total -
Shell -
Dupont -
Exxonmobil -
Akzonobel -
Basf -
Bayer -
BP
Please post your buying leads,so that our qualified suppliers will soon
contact you!
*Required Fields
Chemistry
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
Safety Profile
Hazard Codes: 
Xi
Risk Statements: 37
R37:Irritating to respiratory system
WGK Germany: 3
F: 3-10
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 .