CAS 83701-16-0|Lithocholic Acid-d4

Introduction：Basic information about CAS 83701-16-0|Lithocholic Acid-d4, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.

Table of Contents

1. Names
2. Lithocholic Acid-d4 BiologicalActivity
3. Chemical & Physical Properties
4. Safety Information
5. Synonyms

Common Name	Lithocholic Acid-d4
CAS Number	83701-16-0	Molecular Weight	380.59700
Density	1.085 g/cm3	Boiling Point	510.992ºC at 760 mmHg
Molecular Formula	C₂₄H₃₆D₄O₃	Melting Point	184-186ºC(lit.)
MSDS	USA	Flash Point	276.926ºC

Names

Name	(4R)-4-[(3R,5R,8R,9S,10S,13R,14S,17R)-2,2,4,4-tetradeuterio-3-hydroxy-10,13-dimethyl-3,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid
Synonym	More Synonyms

Lithocholic Acid-d4 BiologicalActivity

Description	Lithocholic acid-d4 (3α-Hydroxy-5β-cholanic acid-d4) is the deuterium labeled Lithocholic acid, which is a toxic secondary bile acid[1].
Related Catalog	Signaling Pathways >>Apoptosis >>ApoptosisSignaling Pathways >>Autophagy >>AutophagyResearch Areas >>Metabolic Disease
In Vitro	Lithocholic acid is a toxic secondary bile acid[1].
References	[1]. Staudinger JL, et al. The nuclear receptor PXR is a lithocholic acid sensor that protects against liver toxicity. Proc Natl Acad Sci U S A. 2001;98(6):3369-3374.

Chemical & Physical Properties

Density	1.085 g/cm3
Boiling Point	510.992ºC at 760 mmHg
Melting Point	184-186ºC(lit.)
Molecular Formula	C₂₄H₃₆D₄O₃
Molecular Weight	380.59700
Flash Point	276.926ºC
Exact Mass	380.32300
PSA	57.53000
LogP	5.50710
InChIKey	SMEROWZSTRWXGI-POXZWENPSA-N
SMILES	CC(CCC(=O)O)C1CCC2C3CCC4CC(O)CCC4(C)C3CCC12C

Safety Information

Safety Phrases	22-24/25

Synonyms

3|A-Hydroxy-5|A-cholanic Acid-d4

Lithocholic acid-2,2,4,4-d4

3-Hydroxycholan-24-oic Acid-d4

Lithocholic Acid-d4

3|A-Hydroxycholanic Acid-d4

<1,1,4,4-2H>-Lithocholsaeure

3|A-Hydroxy-5|A-cholanoic Acid-d4

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