Products 13222-48-5

CAS 13222-48-5 is the registry number for Ciliatocholate. Offered by: MedChemExpress. Available pack sizes: Get quote.

Ciliatocholate
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Structural formula: {0} (CAS {1})

N-(2-phosphonoethyl)cholamide is the N-(2-phosphoethyl0amide of cholic acid. It is functionally related to a (2-aminoethyl)phosphonic acid and a cholic acid.

Source: ChEBI

Identity
Molecular formulaC26H46NO7P
Molecular weight515.6 g/mol
IUPAC name2-[[(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]ethylphosphonic acid
InChIKeyBGUPNWPPECTFDP-HZAMXZRMSA-N
SMILESC[C@H](CCC(=O)NCCP(=O)(O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C

Computed by PubChem (NCBI)

Synonyms: Ciliatocholic acid, 2-Aminoethylphosphocholate, N-(2-phosphonoethyl)cholamide, Ciliatocholate, orb3179770, Ursodeoxycholic Acid impurity 89

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