CHENODIOL

U.S. Department of Health & Human Services Divider Arrow

National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C24H40O4
Molecular Weight	392.572
Optical Activity	UNSPECIFIED
Defined Stereocenters	10 / 10
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of CHENODIOL

Structure Search

SMILES

[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)C[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCC(O)=O

InChI

InChIKey=RUDATBOHQWOJDD-BSWAIDMHSA-N

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

HIDE SMILES / InChI

Molecular Formula	C24H40O4
Molecular Weight	392.572
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	9 / 10
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 17:08:41 UTC 2023` Edited by `admin` on `Sat Dec 16 17:08:41 UTC 2023`
Record UNII	0GEI24LG0J
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

CHENODIOL

Official Name

English

3α,7α-Dihydroxy-5β-cholan-24-oic acid

Systematic Name

English

CHENODEOXYCHOLIC ACID

Official Name

English

CHENODEOXYCHOLIC ACID [EP MONOGRAPH]

Common Name

English

NSC-657949

Code

English

CHENODEOXYCHOLIC ACID [MART.]

Common Name

English

URSODEOXYCHOLIC ACID IMPURITY A [EP IMPURITY]

Common Name

English

CHENODIOL [MI]

Common Name

English

CHENODEOXYCHOLATE

Common Name

English

CHENODIOL [USAN]

Common Name

English

NSC-757798

Code

English

ANTHROPODESOXYCHOLIC ACID

Common Name

English

CHENODIOL [VANDF]

Common Name

English

Chenodeoxycholic acid [WHO-DD]

Common Name

English

CHOLANORM

Brand Name

English

chenodeoxycholic acid [INN]

Common Name

English

CHENOFALK

Brand Name

English

CHENIX

Brand Name

English

CHENOCOL

Brand Name

English

CHENODIOL [ORANGE BOOK]

Common Name

English

CHOLAN-24-OIC ACID, 3,7-DIHYDROXY-, (3.ALPHA.,5.BETA.,7.ALPHA.)

Common Name

English

CHENODEOXYCHOLIC ACID [EP IMPURITY]

Common Name

English

CHENODEOXYCHOLIC ACID [JAN]

Common Name

English

CHENDOL

Brand Name

English

GALLODESOXYCHOLIC ACID

Common Name

English

FLUIBIL

Brand Name

English

CHENOSSIL

Brand Name

English

CHENODESOXYCHOLIC ACID

Common Name

English

CHENIC ACID

Common Name

English

ANTHROPODODESOXYCHOLIC ACID

Common Name

English

ANTHROPODEOXYCHOLIC ACID

Common Name

English

Classification Tree Code System Code

FDA ORPHAN DRUG

300510

Created by admin on Sat Dec 16 17:08:43 UTC 2023 , Edited by admin on Sat Dec 16 17:08:43 UTC 2023

LOINC

30519-3

Created by admin on Sat Dec 16 17:08:43 UTC 2023 , Edited by admin on Sat Dec 16 17:08:43 UTC 2023

NCI_THESAURUS

C66913

Created by admin on Sat Dec 16 17:08:43 UTC 2023 , Edited by admin on Sat Dec 16 17:08:43 UTC 2023

EU-Orphan Drug

EU/3/14/1406

Created by admin on Sat Dec 16 17:08:43 UTC 2023 , Edited by admin on Sat Dec 16 17:08:43 UTC 2023

FDA ORPHAN DRUG

175303

Created by admin on Sat Dec 16 17:08:43 UTC 2023 , Edited by admin on Sat Dec 16 17:08:43 UTC 2023

LOINC

2065-1

Created by admin on Sat Dec 16 17:08:43 UTC 2023 , Edited by admin on Sat Dec 16 17:08:43 UTC 2023

FDA ORPHAN DRUG

3384

Created by admin on Sat Dec 16 17:08:43 UTC 2023 , Edited by admin on Sat Dec 16 17:08:43 UTC 2023

LIVERTOX

NBK547907

Created by admin on Sat Dec 16 17:08:43 UTC 2023 , Edited by admin on Sat Dec 16 17:08:43 UTC 2023

FDA ORPHAN DRUG

235406

Created by admin on Sat Dec 16 17:08:43 UTC 2023 , Edited by admin on Sat Dec 16 17:08:43 UTC 2023

WHO-ATC

A05AA01

Created by admin on Sat Dec 16 17:08:43 UTC 2023 , Edited by admin on Sat Dec 16 17:08:43 UTC 2023

WHO-VATC

QA05AA01

Created by admin on Sat Dec 16 17:08:43 UTC 2023 , Edited by admin on Sat Dec 16 17:08:43 UTC 2023

Code System Code Type Description

CAS

474-25-9

Created by admin on Sat Dec 16 17:08:43 UTC 2023 , Edited by admin on Sat Dec 16 17:08:43 UTC 2023

PRIMARY

FDA UNII

0GEI24LG0J

Created by admin on Sat Dec 16 17:08:43 UTC 2023 , Edited by admin on Sat Dec 16 17:08:43 UTC 2023

PRIMARY

CHEBI

36234

Created by admin on Sat Dec 16 17:08:43 UTC 2023 , Edited by admin on Sat Dec 16 17:08:43 UTC 2023

PRIMARY

IUPHAR

608

Created by admin on Sat Dec 16 17:08:43 UTC 2023 , Edited by admin on Sat Dec 16 17:08:43 UTC 2023

PRIMARY

PUBCHEM

10133

Created by admin on Sat Dec 16 17:08:43 UTC 2023 , Edited by admin on Sat Dec 16 17:08:43 UTC 2023

PRIMARY

DRUG CENTRAL

4361

Created by admin on Sat Dec 16 17:08:43 UTC 2023 , Edited by admin on Sat Dec 16 17:08:43 UTC 2023

PRIMARY

WIKIPEDIA

CHENODEOXYCHOLIC ACID

Created by admin on Sat Dec 16 17:08:43 UTC 2023 , Edited by admin on Sat Dec 16 17:08:43 UTC 2023

PRIMARY

DRUG BANK

DB06777

Created by admin on Sat Dec 16 17:08:43 UTC 2023 , Edited by admin on Sat Dec 16 17:08:43 UTC 2023

PRIMARY

DAILYMED

0GEI24LG0J

Created by admin on Sat Dec 16 17:08:43 UTC 2023 , Edited by admin on Sat Dec 16 17:08:43 UTC 2023

PRIMARY

ChEMBL

CHEMBL240597

Created by admin on Sat Dec 16 17:08:43 UTC 2023 , Edited by admin on Sat Dec 16 17:08:43 UTC 2023

PRIMARY

SMS_ID

100000092597

Created by admin on Sat Dec 16 17:08:43 UTC 2023 , Edited by admin on Sat Dec 16 17:08:43 UTC 2023

PRIMARY

MERCK INDEX

m3324

Created by admin on Sat Dec 16 17:08:43 UTC 2023 , Edited by admin on Sat Dec 16 17:08:43 UTC 2023

PRIMARY

Merck Index

RXCUI

42588

Created by admin on Sat Dec 16 17:08:43 UTC 2023 , Edited by admin on Sat Dec 16 17:08:43 UTC 2023

ALTERNATIVE

MESH

D002635

Created by admin on Sat Dec 16 17:08:43 UTC 2023 , Edited by admin on Sat Dec 16 17:08:43 UTC 2023

PRIMARY

INN

4391

Created by admin on Sat Dec 16 17:08:43 UTC 2023 , Edited by admin on Sat Dec 16 17:08:43 UTC 2023

PRIMARY

EPA CompTox

DTXSID2020260

Created by admin on Sat Dec 16 17:08:43 UTC 2023 , Edited by admin on Sat Dec 16 17:08:43 UTC 2023

PRIMARY

NSC

757798

Created by admin on Sat Dec 16 17:08:43 UTC 2023 , Edited by admin on Sat Dec 16 17:08:43 UTC 2023

PRIMARY

EVMPD

SUB07463MIG

Created by admin on Sat Dec 16 17:08:43 UTC 2023 , Edited by admin on Sat Dec 16 17:08:43 UTC 2023

PRIMARY

NCI_THESAURUS

C65206

Created by admin on Sat Dec 16 17:08:43 UTC 2023 , Edited by admin on Sat Dec 16 17:08:43 UTC 2023

PRIMARY

ECHA (EC/EINECS)

207-481-8

Created by admin on Sat Dec 16 17:08:43 UTC 2023 , Edited by admin on Sat Dec 16 17:08:43 UTC 2023

PRIMARY

NSC

657949

Created by admin on Sat Dec 16 17:08:43 UTC 2023 , Edited by admin on Sat Dec 16 17:08:43 UTC 2023

PRIMARY

CHEBI

16755

Created by admin on Sat Dec 16 17:08:43 UTC 2023 , Edited by admin on Sat Dec 16 17:08:43 UTC 2023

PRIMARY

RXCUI

2323

Created by admin on Sat Dec 16 17:08:43 UTC 2023 , Edited by admin on Sat Dec 16 17:08:43 UTC 2023

PRIMARY

Related Record Type Details


					JF1IDA502B

CHENODIOL MAGNESIUM

SALT/SOLVATE -> PARENT

Amount:


					PUO0521HZV

CYTOCHROME P450 3A4

METABOLIC ENZYME -> SUBSTRATE

Interaction Type:

MAJOR


					6IUSRNBJ8Q

ILEAL SODIUM/BILE ACID COTRANSPORTER

TRANSPORTER -> INHIBITOR

Amount:


					AIN96D6SGL

OATP1B1

TRANSPORTER -> INHIBITOR


					805SU96HKF

CYTOCHROME P450 3A5

METABOLIC ENZYME -> SUBSTRATE

Interaction Type:

MINOR


					6V4571KSKE

SODIUM CHENODEOXYCHOLATE

SALT/SOLVATE -> PARENT

Amount:


					438XLITDI3

NUCLEAR RECEPTOR SUBFAMILY 1 GROUP I MEMBER 3

TARGET -> AGONIST


					0C5V0MRU6P

BILE ACID RECEPTOR

TARGET -> AGONIST

Related Record Type Details


					Y1357H1A28

NUTRIACHOLIC ACID

METABOLITE -> PARENT

Comments:

IN VITRO

Interaction Type:

MINOR


					724L30Y2QR

URSODIOL

PARENT -> METABOLITE

Qualification:

BILE


					G1JO7801AE

METABOLITE -> PARENT

Comments:

IN VITRO

Interaction Type:

MINOR


					3MY7NM9XNW

3-OXOCHENODEOXYCHOLIC ACID

METABOLITE -> PARENT

Comments:

IN VITRO


					2H5H0Q47FL

METABOLITE -> PARENT

Comments:

IN VITRO

Interaction Type:

MAJOR

Related Record Type Details


					724L30Y2QR

URSODIOL

PARENT -> IMPURITY

Interaction Type:

CHROMATOGRAPHIC PURITY (HPLC/UV)

Qualification:

EP

Amount:

Related Record Type Details


					0GEI24LG0J

CHENODIOL

ACTIVE MOIETY

Amount:

Name	Property Type	Amount	Referenced Substance	Defining	Parameters	References
Volume of Distribution	PHARMACOKINETIC

Biological Half-life	PHARMACOKINETIC