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Glycochenodeoxycholic acid-2,2,4,4-[d4]

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Category	Standards
Catalog NO.	BPG-3225
Product Name	Glycochenodeoxycholic acid-2,2,4,4-[d4]
CAS	1201918-16-2
Molecular Formula	C26H39D4NO5
Molecular Weight	453.65

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Description	Glycochenodeoxycholic Acid-2,2,4,4-[d4] is the labelled analogue of Glycochenodeoxycholic acid. Glycochenodeoxycholic acid is an amino acid formed by chenodeoxycholate and glycine. It acts as a detergent to solubilize fats.
Synonyms	Glycochenodeoxycholic-2,2,4,4-d4 acid; Glycochenodeoxycholic acid-d4; N-(3α,7α-Dihydroxy-24-oxocholan-24-yl)glycine-d4; 3α,7α-Dihydroxy-5β-cholanic Acid N-(Carboxymethyl)amide-d4
IUPAC Name	2-[[(4R)-4-[(3R,5S,7R,8R,9S,10S,13R,14S,17R)-2,2,4,4-tetradeuterio-3,7-dihydroxy-10,13-dimethyl-3,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]acetic acid
Canonical SMILES	CC(CCC(=O)NCC(=O)O)C1CCC2C1(CCC3C2C(CC4C3(CCC(C4)O)C)O)C
InChI	InChI=1S/C26H43NO5/c1-15(4-7-22(30)27-14-23(31)32)18-5-6-19-24-20(9-11-26(18,19)3)25(2)10-8-17(28)12-16(25)13-21(24)29/h15-21,24,28-29H,4-14H2,1-3H3,(H,27,30)(H,31,32)/t15-,16+,17-,18-,19+,20+,21-,24+,25+,26-/m1/s1/i8D2,12D2
InChIKey	GHCZAUBVMUEKKP-PKIQRPOYSA-N
Purity	≥ 97% (CP); ≥ 98% atom D
Solubility	Soluble in Methanol (100 μg/mL)
Related CAS	640-79-9 (unlabelled)
Shelf Life	1 Year
Storage	-20°C
Exact Mass	453.34
Hygroscopic	No
Light Sensitive	No
Percent Composition	C 68.84%, H 10.44%, N 3.09%, O 17.63%

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