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Ursodeoxycholic Acid Methyl Ester-[d5]

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Application Area

Metabolic Research

Stable isotope labeling allows researchers to study metabolic pathways in vivo in a safe manner.

Environmental

Stable isotope-labeled compounds are used as environmental pollutant standards for the detection of air, water, soil, sediment and food.

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In addition to treating various diseases, isotopes are used for imaging, diagnosis, and newborn screening.

Organic Chemistry

Small molecule compounds labeled with stable isotopes can be used as chemical reference for chemical identification, qualitative, quantitative, detection, etc. Various types of NMR solvents can be used to study the structure, reaction mechanism and reaction kinetics of compounds.

Metabolic Research

Stable isotope labeling allows researchers to study metabolic pathways in vivo in a safe manner.

Environmental

Stable isotope-labeled compounds are used as environmental pollutant standards for the detection of air, water, soil, sediment and food.

Ursodeoxycholic Acid Methyl Ester-[d5]

Name: Ursodeoxycholic Acid Methyl Ester-[d5]
Brand: BOC Sciences
Rating: 5 (1 reviews)

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General Information
Catalog: BLP-012141
CAS: 93701-19-0
Molecular Formula: C25H37D5O4
Molecular Weight: 411.63

Chemical Structure

Synonyms	Ursodeoxycholic Acid D5 Methyl Ester
IUPAC Name	methyl (4R)-4-[(3R,5S,7S,8R,9S,10S,13R,14S,17R)-2,2,3,4,4-pentadeuterio-3,7-dihydroxy-10,13-dimethyl-1,5,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]pentanoate
Related CAS	10538-55-3 (unlabelled)
Canonical SMILES	CC(CCC(=O)OC)C1CCC2C1(CCC3C2C(CC4C3(CCC(C4)O)C)O)C
InChI	InChI=1S/C25H42O4/c1-15(5-8-22(28)29-4)18-6-7-19-23-20(10-12-25(18,19)3)24(2)11-9-17(26)13-16(24)14-21(23)27/h15-21,23,26-27H,5-14H2,1-4H3/t15-,16+,17-,18-,19+,20+,21+,23+,24+,25-/m1/s1/i9D2,13D2,17D
InChI Key	GRQROVWZGGDYSW-IMKCYHQTSA-N
Boiling Point	507.6±25.0 °C at 760 mmHg
Melting Point	59-62°C
Purity	95% atom D
Density	1.1±0.1 g/cm3
Solubility	Soluble in Acetone, Chloroform, Methanol
Appearance	White Solid
Application	A precursor to manufacture UDCA (Ursodeoxycholic acid)
Storage	Store at -20°C