Chenodeoxycholic acid-[d4]

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Category	Standards
Catalog NO.	BPG-3134
Product Name	Chenodeoxycholic acid-[d4]
CAS	99102-69-9
Molecular Formula	C24H36D4O4
Molecular Weight	396.60

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Description	Chenodeoxycholic acid-[d4], is the labeled analogue of Chenodeoxycholic acid. Chenodeoxycholic acid has been used as medical therapy to dissolve gallstones.
Synonyms	Chenodeoxycholic Acid D4; (3α,5β,7α)-3,7-Dihydroxycholan-24-oic Acid-d4; (+)-Chenodeoxycholic Acid-d4; 17β-(1-Methyl-3-carboxypropyl)etiocholane-3α,7α-diol-d4; Chenodeoxycholic Acid-d4; CDC-d4; Chendol-d4; Chenodiol-d4; Chenocol-d4; Fluibil-d4
IUPAC Name	(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]pentanoic acid
Canonical SMILES	CC(CCC(=O)O)C1CCC2C1(CCC3C2C(CC4C3(CCC(C4)O)C)O)C
InChI	InChI=1S/C24H40O4/c1-14(4-7-21(27)28)17-5-6-18-22-19(9-11-24(17,18)3)23(2)10-8-16(25)12-15(23)13-20(22)26/h14-20,22,25-26H,4-13H2,1-3H3,(H,27,28)/t14-,15+,16-,17-,18+,19+,20-,22+,23+,24-/m1/s1/i8D2,12D2
InChIKey	RUDATBOHQWOJDD-PSTGXAJBSA-N
Boiling Point	547.148°C at 760 mmHg
Melting Point	134-137°C
Purity	98% by CP; 98% atom D
Density	1.14g/cm3
Solubility	Soluble in DMSO (Slightly), Methanol (Slightly, Sonicated)
Appearance	White Powder
Shelf Life	1 Year
Storage	Store at 2-8°C
Exact Mass	396.32
Hygroscopic	No
Light Sensitive	No
Percent Composition	C 72.68%, H 11.18%, O 16.14%

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