Product Code

TRC-U850004

Product Format

Neat

Molecular Formula

C24 D5 H35 O4

Molecular Weight

397.603

Product Categories

TRC, Stable isotopes

Product Type

Stable Isotope Labelled

Alternate CAS Number

78919-26-3

Price and availability

48-hour USA dispatch time

Freight restricted.

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Product Information

Chemical Data

Analyte Name

3beta-Ursodeoxycholic Acid-d5

Molecular Formula

C24 D5 H35 O4

Molecular Weight

397.603

Accurate Mass

397.324

SMILES

[2H]C1([2H])C[C@]2(C)[C@H]3CC[C@]4(C)[C@H](CC[C@H]4[C@@H]3[C@@H](O)C[C@@H]2C([2H])([2H])[C@@]1([2H])O)[C@H](C)CCC(=O)O

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/i8D2,12D2,16D

IUPAC

(4R)-4-[(3S,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]pentanoic acid

Alternate CAS Number

78919-26-3

SIL Type

Deuterium

Product Data

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

Product Description

Deuterated Ursodeoxcholic Acid (U850005), which is used as an anticholelithogenic.

References: Tint, G.S., et al.: Gastroenterology, 91, 1007 (1986), Poupon, R.E, et al.: N. Engl. J. Med., 324, 1548 (1991)

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3Beta-Ursodeoxycholic Acid-d5

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