Details
Stereochemistry | ABSOLUTE |
Molecular Formula | C24H34O5 |
Molecular Weight | 402.5238 |
Optical Activity | UNSPECIFIED |
Defined Stereocenters | 8 / 8 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
[H][C@@]1(CC[C@@]2([H])[C@]3([H])C(=O)C[C@]4([H])CC(=O)CC[C@]4(C)[C@@]3([H])CC(=O)[C@]12C)[C@H](C)CCC(O)=O
InChI
InChIKey=OHXPGWPVLFPUSM-KLRNGDHRSA-N
InChI=1S/C24H34O5/c1-13(4-7-21(28)29)16-5-6-17-22-18(12-20(27)24(16,17)3)23(2)9-8-15(25)10-14(23)11-19(22)26/h13-14,16-18,22H,4-12H2,1-3H3,(H,28,29)/t13-,14+,16-,17+,18+,22+,23+,24-/m1/s1
Molecular Formula | C24H34O5 |
Molecular Weight | 402.5238 |
Charge | 0 |
Count |
|
Stereochemistry | ABSOLUTE |
Additional Stereochemistry | No |
Defined Stereocenters | 8 / 8 |
E/Z Centers | 0 |
Optical Activity | UNSPECIFIED |
DescriptionSources: https://www.ncbi.nlm.nih.gov/pubmed/6620121http://www.drugs.com/dict/dehydrocholic-acid.htmlCurator's Comment: description was created based on several sources, including http://patft.uspto.gov/netacgi/nph-Parser?Sect2=PTO1&Sect2=HITOFF&p=1&u=/netahtml/PTO/search-bool.html&r=1&f=G&l=50&d=PALL&RefSrch=yes&Query=PN/5935948
Sources: https://www.ncbi.nlm.nih.gov/pubmed/6620121http://www.drugs.com/dict/dehydrocholic-acid.html
Curator's Comment: description was created based on several sources, including http://patft.uspto.gov/netacgi/nph-Parser?Sect2=PTO1&Sect2=HITOFF&p=1&u=/netahtml/PTO/search-bool.html&r=1&f=G&l=50&d=PALL&RefSrch=yes&Query=PN/5935948
Dehydrocholic acid is manufactured from cholic acid by oxidation. The main use of dehydrocholic acid is as a digestive aid in the dietary supplement industry. It is typically formulated with enzymes like papain and pancreatin. It has a stimulating effect on the secretion of bile by the liver (choleretic); improves absorption of essential food materials in states associated with deficient bile formation.
CNS Activity
Sources: http://www.ncbi.nlm.nih.gov/pubmed/6877542
Curator's Comment: In rats, sodium dehydrocholate disrupts the blood-brain barrier for a period of over 3 days.
Approval Year
Targets
Primary Target | Pharmacology | Condition | Potency |
---|---|---|---|
Target ID: Anionic polypeptide fraction (APF) secretion in bile Sources: https://www.ncbi.nlm.nih.gov/pubmed/1502488 |
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Target ID: GO:0032782 Sources: https://www.ncbi.nlm.nih.gov/pubmed/2340963 |
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Target ID: CHEMBL2714 |
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Target ID: Q99626 Gene ID: 1045.0 Gene Symbol: CDX2 Target Organism: Homo sapiens (Human) |
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Target ID: map04976 Sources: https://www.ncbi.nlm.nih.gov/pubmed/2340963 |
Conditions
Condition | Modality | Targets | Highest Phase | Product |
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Diagnostic | Unknown Approved UseUnknown |
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Primary | Unknown Approved UseUnknown |
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Primary | Unknown Approved UseUnknown |
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Primary | Decholinum Approved UseUnknown |
Doses
Dose | Population | Adverse events |
---|---|---|
250 mg 3 times / day multiple, oral Dose: 250 mg, 3 times / day Route: oral Route: multiple Dose: 250 mg, 3 times / day Sources: |
unhealthy, 36-75 n = 11 Health Status: unhealthy Condition: recurrent acute cholangitis Age Group: 36-75 Sex: M+F Population Size: 11 Sources: |
Other AEs: Nausea, Diarrhea... Other AEs: Nausea (1 patient) Sources: Diarrhea (1 patient) Weight loss (1 patient) Pain in hand (1 patient) |
AEs
AE | Significance | Dose | Population |
---|---|---|---|
Diarrhea | 1 patient | 250 mg 3 times / day multiple, oral Dose: 250 mg, 3 times / day Route: oral Route: multiple Dose: 250 mg, 3 times / day Sources: |
unhealthy, 36-75 n = 11 Health Status: unhealthy Condition: recurrent acute cholangitis Age Group: 36-75 Sex: M+F Population Size: 11 Sources: |
Nausea | 1 patient | 250 mg 3 times / day multiple, oral Dose: 250 mg, 3 times / day Route: oral Route: multiple Dose: 250 mg, 3 times / day Sources: |
unhealthy, 36-75 n = 11 Health Status: unhealthy Condition: recurrent acute cholangitis Age Group: 36-75 Sex: M+F Population Size: 11 Sources: |
Pain in hand | 1 patient | 250 mg 3 times / day multiple, oral Dose: 250 mg, 3 times / day Route: oral Route: multiple Dose: 250 mg, 3 times / day Sources: |
unhealthy, 36-75 n = 11 Health Status: unhealthy Condition: recurrent acute cholangitis Age Group: 36-75 Sex: M+F Population Size: 11 Sources: |
Weight loss | 1 patient | 250 mg 3 times / day multiple, oral Dose: 250 mg, 3 times / day Route: oral Route: multiple Dose: 250 mg, 3 times / day Sources: |
unhealthy, 36-75 n = 11 Health Status: unhealthy Condition: recurrent acute cholangitis Age Group: 36-75 Sex: M+F Population Size: 11 Sources: |
PubMed
Title | Date | PubMed |
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Influence of dehydrocholate sodium on the biliary reabsorption of sulfobromophtalein sodium from the rat biliary tree after retrograde intrabilary injection. | 1976 Aug 15 |
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Effects of sodium ursodeoxycholate, hyodeoxycholate and dehydrocholate on cholesterol and bile acid metabolism in rats. | 1983 May |
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Choleretic activity and biliary elimination of lipids and bile acids induced by an artichoke leaf extract in rats. | 2002 Dec |
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Lasting blood-brain barrier disruption induces epileptic focus in the rat somatosensory cortex. | 2004 Sep 8 |
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Aqueous sodium dehydrocholate-sodium deoxycholate mixtures at low concentration. | 2007 Oct 15 |
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Spread mixed monolayers of deoxycholic and dehydrocholic acids at the air-water interface, effect of subphase pH. Characterization by axisymmetric drop shape analysis. | 2008 Jan |
Sample Use Guides
In Vivo Use Guide
Sources: https://www.ncbi.nlm.nih.gov/pubmed/957600
in rats: intravenously as a constant infusion (3.1 mumol/min/kg body weight) or as a bolus injection (24.8 mumol/rat)
Route of Administration:
Intravenous
In Vitro Use Guide
Sources: https://www.ncbi.nlm.nih.gov/pubmed/4254627
Unknown
Substance Class |
Chemical
Created
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admin
on
Edited
Sat Dec 16 17:01:10 GMT 2023
by
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on
Sat Dec 16 17:01:10 GMT 2023
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Record UNII |
NH5000009I
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Record Status |
Validated (UNII)
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Record Version |
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Classification Tree | Code System | Code | ||
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NCI_THESAURUS |
C66913
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157
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CHEMBL514446
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8796
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C76605
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D003685
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NH5000009I
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137881
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DTXSID2022888
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31459
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42625
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6674
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SUB06945MIG
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DEHYDROCHOLIC ACID
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3141
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m4142
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201-335-7
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DB11622
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100000083477
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1166502
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81-23-2
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794
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SALT/SOLVATE -> PARENT | |||
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SALT/SOLVATE -> PARENT | |||
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TRANSPORTER -> INHIBITOR |
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ACTIVE MOIETY |