CAS
11005-98-4 Purity
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11005-98-4 Purity
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Sodium tauroglycocholate
CAS
11006-55-6
Catalog Number
ACM11006556
Category
Other Products
Molecular Weight
594.74
Molecular Formula
C28H47N2NaO8S
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Specification
Synonyms
AC1O3S6F, Tauroglycolic acid, sodium salt, Tauroglycocholic acid, sodium salt, EINECS 234-243-0, 11006-55-6, Ethanesulfonic acid, 2-(((((3alpha,5beta,7alpha,12alpha)-3,7,12-trihydroxy-24-oxocholan-24-yl)amino)acetyl)amino)-, monosodium salt, sodium; 2-[[2-[[(4R)-4-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-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]acetyl]amino]ethanesulfonic acid
IUPAC Name
sodium;2-[[2-[[(4R)-4-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-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]acetyl]amino]ethanesulfonic acid
Canonical SMILES
CC(CCC(=O)NCC(=O)NCCS(=O)(=O)[O-])C1CCC2C1(C(CC3C2C(CC4C3(CCC(C4)O)C)O)O)C.[Na+]
InChI Key
WKHLLIRETSZJBP-QRPKJZHMSA-N
EC Number
234-243-0
Exact Mass
594.29500
Hazard Statements
Xi
H-Bond Acceptor
8
H-Bond Donor
6
Safety Description
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing .
S36:Wear suitable protective clothing .
WGK Germany
3
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CAS
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