ursodiol (Q241374)

URSODEOXYCHOLIC ACID (English)

(4R)-4-[(3R,5R,7S,8R,9S,10S,13R,14S,17R)-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid

3 October 2016

stereoisomer of

2 references

Allochenodeoxycholate

2 references

3beta,7alpha-dihydroxy-5beta-cholan-24-oic acid

1 reference

1 reference

(4R)-4-[(3S,5R,7S,8R,9S,10S,13R,14S,17R)-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid

1 reference

(4R)-4-[(3R,5S,7S,8S,9R,10S,13R,14S,17S)-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid

1 reference

isoursodeoxycholic acid

1 reference

(4R)-4-[(3S,5R,7R,8R,9S,10S,13R,14S,17R)-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid

1 reference

(4R)-4-[(3R,5S,7R,8S,9R,10S,13R,14S,17R)-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid

1 reference

chemical formula

C₂₄H₄₀O₄

1 reference

URSODEOXYCHOLIC ACID (English)

19 November 2016

canonical SMILES

CC(CCC(=O)O)C1CCC2C1(CCC3C2C(CC4C3(CCC(C4)O)C)O)C

1 reference

URSODEOXYCHOLIC ACID (English)

19 November 2016

isomeric SMILES

C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C

1 reference

URSODEOXYCHOLIC ACID (English)

19 November 2016

melting point

203 degree Celsius

1 reference

Jean-Claude Bradley Open Melting Point Dataset

defined daily dose

0.75 gram

route of administration

oral administration

1 reference

reference URL

https://www.whocc.no/atc_ddd_index/?code=A05AA02

World Health Organisation international non-proprietary name

ursodeoxycholic acid (English)

2 references

Ursodeoxycholic acid (English)

Comparative studies of bile salts. 7. Bile acids of the coypu, Myocastor coypus

19 January 2016

published in

Recommended INN: List 21

1981

1 reference

medical condition treated

primary biliary cholangitis

1 reference

13 December 2016

1 reference

primary biliary cholangitis

13 December 2016

start time

16 July 1989

approved by

Food and Drug Administration

1 reference

Inxight: Drugs Database

https://drugs.ncats.io/drug/724L30Y2QR

2 November 2018

reference URL

pregnancy category

Australian pregnancy category B3

1 reference

imported from Wikimedia project

English Wikipedia

US pregnancy category B

1 reference

imported from Wikimedia project

1 reference

cholagogues and choleretics

1 reference

CAS COVID-19 Anti-Viral Candidate Compounds

Medical Subject Headings

15 March 2018

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Ursodeoxycholic acid

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catalog

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Identifiers

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

1 reference

URSODEOXYCHOLIC ACID (English)

19 November 2016

2 references

URSODEOXYCHOLIC ACID (English)

19 November 2016

ChEBI release 2020-09-01

CAS Registry Number

128-13-2

2 references

ursodiol (English)

19 November 2016

https://commonchemistry.cas.org/detail?cas_rn=128-13-2

10 April 2021

1 reference

Ursodeoxycholic acid (English)

19 November 2016

1 reference

URSODEOXYCHOLIC ACID (English)

19 November 2016

Reaxys registry number

3219888

1 reference

ursodeoxycholic acid (English)

3 October 2016

ChEBI ID

9907

mapping relation type

2 references

URSODIOL (English)

19 November 2016

International Chemical Identifier

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

1 reference

URSODIOL (English)

19 November 2016

2 references

MSBNK-Nihon_Univ-NU000136

1 reference

MassBank accession ID

MSBNK-Metabolon-MT000012

0 references

0 references

MSBNK-Nihon_Univ-NU000137

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MSBNK-Nihon_Univ-NU000138

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MSBNK-Nihon_Univ-NU000139

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MSBNK-Nihon_Univ-NU000140

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SPLASH

splash10-0a4i-9200000000-56bbdbde6951437dad54

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splash10-0a4i-9011000000-c6002462351cd3fe7548

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splash10-0006-3019200000-ea110fedbf1f6303d939

0 references

splash10-0006-1009100000-a23268ddd32187d44e91

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splash10-0006-1029100010-480c93deb33afa04c9aa

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splash10-00di-0009000000-7dc450000858cedb3764

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splash10-00di-0009000000-42d1bd2df4c39805af9e

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splash10-0006-0009000000-bdb80c6396650fd18f54

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splash10-0550-0049000000-12daf2ac1ab194c58dae

0 references

splash10-0002-2911000000-eec2b269eeb08a30ac6e

0 references

0 references

2 references

Mapping file of InChIStrings, InChIKeys and DTXSIDs for the EPA CompTox Dashboard

DSSTOX compound identifier

0 references

0 references

0 references

1 reference

ursodiol (English)

ECHA Substance Infocard ID

19 November 2016

100.004.437

1 reference

ECHA Substance Infocard database

ECHA Substance Infocard ID

100.004.437

27 December 2018

Ursodeoxycholic acid (English)

quotation

CAS no.: 128-13-2 (English)

1 reference

28 December 2019

URSODIOL (English)

CAS no.: 128-13-2 (English)

1 reference

World Health Organisation international non-proprietary name numeric ID

Ursodeoxycholic acid (English)

publication date

17 November 2015

4920

1 reference

reference URL

https://mednet-communities.net/inn/db/ViewINN.aspx?i=4920

Guide to Pharmacology Ligand ID

7104

1 reference

IUPHAR/BPS Guide to PHARMACOLOGY

Guide to Pharmacology Ligand ID

7104

D04.210.500.105.225.272.962

ursodeoxycholic acid (English)

19 November 2016

Ursodeoxycholic Acid

0 references

MeSH concept ID

M0022413

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MeSH tree code

0 references

D04.210.500.221.430.342.925

0 references

RxNorm ID

11065

1 reference

ursodiol (English)

19 November 2016

1 reference

Human Metabolome Database ID

HMDB0000946

2 references

2 references

ursodiol (English)

19 November 2016

MedlinePlus drug identifier

a699047

0 references

PatientsLikeMe treatment ID

0 references

1 reference

ursodiol (English)

19 November 2016

0 references

1 reference

1 reference

ursodeoxycholic acid (English)

3 October 2016

1 reference

ursodeoxycholic acid (English)

Encyclopedia of China (Third Edition) ID

3 October 2016

LIPID MAPS ID

LMST04010033

0 references

0 references

1 reference

28 October 2013

Microsoft Academic ID

0 references

1 reference

26 January 2022

https://docs.openalex.org/download-snapshot/snapshot-data-format

UMLS CUI

C0042105

1 reference