CYCLOBUTYROL

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

National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	RACEMIC
Molecular Formula	C10H18O3
Molecular Weight	186.2481
Optical Activity	( + / - )
Defined Stereocenters	0 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of CYCLOBUTYROL

Structure Search

SMILES

CCC(C(O)=O)C1(O)CCCCC1

InChI

InChIKey=NIVFTEMPSCMWDE-UHFFFAOYSA-N

InChI=1S/C10H18O3/c1-2-8(9(11)12)10(13)6-4-3-5-7-10/h8,13H,2-7H2,1H3,(H,11,12)

HIDE SMILES / InChI

Molecular Formula	C10H18O3
Molecular Weight	186.2481
Charge	0
Count

Stereochemistry	RACEMIC
Additional Stereochemistry	No
Defined Stereocenters	0 / 1
E/Z Centers	0
Optical Activity	( + / - )

Description
Sources: https://www.ncbi.nlm.nih.gov/pubmed/2574569 | https://www.ncbi.nlm.nih.gov/pubmed/2310370 | https://www.drugfuture.com/chemdata/cyclobutyrol.html

Cyclobutyrol (CB) is a choleretic agent, which also inhibits biliary lipid secretion. Administration of cyclobutyrol reduced biliary concentration and output of cholesterol and phospholipid. This is due to an uncoupling of the secretion of cholesterol and phospholipids from that of bile acids. Biliary outputs of the canalicular membrane enzymes 5'-nucleotidase and alkaline phosphodiesterase I are depressed. The most likely effect of CB is exerted at the level of the canalicular membrane.

Approval Year

Targets

Targets

Primary Target	Pharmacology	Condition	Potency
cholesterol efflux 3 Target ID: GO:0033344 Sources: https://www.ncbi.nlm.nih.gov/pubmed/2310370	Inhibitor 8297
phospholipid efflux 3 Target ID: GO:0033700 Sources: https://www.ncbi.nlm.nih.gov/pubmed/2310370	Inhibitor 8297

PubMed

PubMed

Title	Date	PubMed
Skin sensitizing properties of arylalcanoic acids and their analogues.	1979 Sep	509935

Sample Use Guides

In Vivo Use Guide

Single dose - 0.72 mmol/kg body weight

Route of Administration: Oral

Substance Class	Chemical Created by `admin` on `Sat Dec 16 16:20:18 GMT 2023` Edited by `admin` on `Sat Dec 16 16:20:18 GMT 2023`
Record UNII	8T4L120N6M
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

CYCLOBUTYROL

Official Name

English

cyclobutyrol [INN]

Common Name

English

Cyclobutyrol [WHO-DD]

Common Name

English

.ALPHA.-ETHYL-1-HYDROXYCYCLOHEXANEACETIC ACID

Systematic Name

English

JL-130

Code

English

CYCLOBUTYROL [MI]

Common Name

English

Classification Tree Code System Code

WHO-ATC

A05AX03

Created by admin on Sat Dec 16 16:20:19 GMT 2023 , Edited by admin on Sat Dec 16 16:20:19 GMT 2023

NCI_THESAURUS

C66913

Created by admin on Sat Dec 16 16:20:19 GMT 2023 , Edited by admin on Sat Dec 16 16:20:19 GMT 2023

WHO-VATC

QA05AX03

Created by admin on Sat Dec 16 16:20:19 GMT 2023 , Edited by admin on Sat Dec 16 16:20:19 GMT 2023

Code System Code Type Description

PUBCHEM

72065

Created by admin on Sat Dec 16 16:20:19 GMT 2023 , Edited by admin on Sat Dec 16 16:20:19 GMT 2023

PRIMARY

SMS_ID

100000083731

Created by admin on Sat Dec 16 16:20:19 GMT 2023 , Edited by admin on Sat Dec 16 16:20:19 GMT 2023

PRIMARY

CAS

512-16-3

Created by admin on Sat Dec 16 16:20:19 GMT 2023 , Edited by admin on Sat Dec 16 16:20:19 GMT 2023

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INN

1149

Created by admin on Sat Dec 16 16:20:19 GMT 2023 , Edited by admin on Sat Dec 16 16:20:19 GMT 2023

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EVMPD

SUB06851MIG

Created by admin on Sat Dec 16 16:20:19 GMT 2023 , Edited by admin on Sat Dec 16 16:20:19 GMT 2023

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DRUG CENTRAL

752

Created by admin on Sat Dec 16 16:20:19 GMT 2023 , Edited by admin on Sat Dec 16 16:20:19 GMT 2023

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CHEBI

61024

Created by admin on Sat Dec 16 16:20:19 GMT 2023 , Edited by admin on Sat Dec 16 16:20:19 GMT 2023

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DRUG BANK

DB13493

Created by admin on Sat Dec 16 16:20:19 GMT 2023 , Edited by admin on Sat Dec 16 16:20:19 GMT 2023

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NCI_THESAURUS

C81039

Created by admin on Sat Dec 16 16:20:19 GMT 2023 , Edited by admin on Sat Dec 16 16:20:19 GMT 2023

PRIMARY

ECHA (EC/EINECS)

208-138-5

Created by admin on Sat Dec 16 16:20:19 GMT 2023 , Edited by admin on Sat Dec 16 16:20:19 GMT 2023

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FDA UNII

8T4L120N6M

Created by admin on Sat Dec 16 16:20:19 GMT 2023 , Edited by admin on Sat Dec 16 16:20:19 GMT 2023

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WIKIPEDIA

CYCLOBUTYROL

Created by admin on Sat Dec 16 16:20:19 GMT 2023 , Edited by admin on Sat Dec 16 16:20:19 GMT 2023

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RXCUI

21954

Created by admin on Sat Dec 16 16:20:19 GMT 2023 , Edited by admin on Sat Dec 16 16:20:19 GMT 2023

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RxNorm

MERCK INDEX

m1096

Created by admin on Sat Dec 16 16:20:19 GMT 2023 , Edited by admin on Sat Dec 16 16:20:19 GMT 2023

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Merck Index

ChEMBL

CHEMBL1697739

Created by admin on Sat Dec 16 16:20:19 GMT 2023 , Edited by admin on Sat Dec 16 16:20:19 GMT 2023

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EPA CompTox

DTXSID00862084

Created by admin on Sat Dec 16 16:20:19 GMT 2023 , Edited by admin on Sat Dec 16 16:20:19 GMT 2023

PRIMARY

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