sodium 2-[[(3α,5β,12α)-3,12-dihydroxy-24-oxocholan-24-yl]amino]ethane-1-sulphonate (CAS 1180-95-6) — formula C26H44NNaO6S, molecular weight 521.7; category organic chemicals.
| CAS Number | 1180-95-6 |
|---|---|
| Molecular Formula | C26H44NNaO6S |
| Molecular Weight | 521.7 |
| Category | Organic Chemicals |
sodium 2-[[(3α,5β,12α)-3,12-dihydroxy-24-oxocholan-24-yl]amino]ethane-1-sulphonate is a carbon-based organic compound with CAS registry number 1180-95-6 and molecular formula C26H44NNaO6S (molecular weight 521.7), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 1180-95-6
Its molecular formula C26H44NNaO6S comprises 26 C, 44 H, 1 N, 1 Na, 6 O, 1 S atoms.
Also known as: sodium 2-[[(3α,5β,12α)-3,12-dihydroxy-24-oxocholan-24-yl]amino]ethane-1-sulphonate · 牛磺脱氧胆酸钠
Category: organic chemicals
The CAS registry number of sodium 2-[[(3α,5β,12α)-3,12-dihydroxy-24-oxocholan-24-yl]amino]ethane-1-sulphonate is 1180-95-6.
Molecular formula C26H44NNaO6S, molecular weight 521.7.
It is also registered under: sodium 2-[[(3α,5β,12α)-3,12-dihydroxy-24-oxocholan-24-yl]amino]ethane-1-sulphonate, 牛磺脱氧胆酸钠.
Category: Organic Chemicals.
Independent reference data for sodium 2-[[(3α,5β,12α)-3,12-dihydroxy-24-oxocholan-24-yl]amino]ethane-1-sulphonate (CAS 1180-95-6), compiled from public chemistry databases.
| CAS 号 | 1180-95-6 |
|---|---|
| PubChem CID | 23664773 |
| 分子式 | C26H44NNaO6S |
| IUPAC 名称 | sodium 2-[[(4R)-4-[(3R,5R,8R,9S,10S,12S,13R,14S,17R)-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]pentanoyl]amino]ethanesulfonate |
| UNII（FDA） | 5PE424S83L |
| Molecular Weight | 521.7 |
|---|---|
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 7 |
| Exact Mass | 521.27870358 |
| Monoisotopic Mass | 521.27870358 |
| Topological Polar Surface Area | 135 |
| Heavy Atom Count | 35 |
Taurodeoxycholic acid sodium salt; 1180-95-6; SODIUM TAURODEOXYCHOLATE; 5PE424S83L; Taurodeoxycholate, Sodium; RefChem:184114; 214-652-0; Ethanesulfonic acid, 2-(((3alpha,5beta,12alpha)-3,12-dihydroxy-24-oxocholan-24-yl)amino)-, monosodium salt; Taurodeoxycholate sodium salt; Taurodeoxycholate (sodium salt); UNII-5PE424S83L; EINECS 214-652-0; MSK2869Na; Ursodeoxycholic Impurity 16; orb1219388; SCHEMBL29362680
| 已通报的危害声明 | H315 (83.3%), H319 (83.3%), H335 (100%) |
|---|
牛磺脱氧胆酸钠 · CAS 1180-95-6 · C26H44NNaO6S. UNII 5PE424S83L.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 牛磺脱氧胆酸钠