CYCLOBUTYROL CALCIUM

Details

Stereochemistry	RACEMIC
Molecular Formula	2C10H17O3.Ca
Molecular Weight	410.558
Optical Activity	( + / - )
Defined Stereocenters	0 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[Ca++].CCC(C([O-])=O)C1(O)CCCCC1.CCC(C([O-])=O)C2(O)CCCCC2

InChI

InChIKey=OAMYYZVUKPEHBW-UHFFFAOYSA-L

InChI=1S/2C10H18O3.Ca/c2*1-2-8(9(11)12)10(13)6-4-3-5-7-10;/h2*8,13H,2-7H2,1H3,(H,11,12);/q;;+2/p-2

HIDE SMILES / InChI

Molecular Formula	C10H17O3
Molecular Weight	185.2402
Charge	-1
Count

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

Molecular Formula	Ca
Molecular Weight	40.078
Charge	2
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

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

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

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 `Fri Dec 15 16:59:00 GMT 2023` Edited by `admin` on `Fri Dec 15 16:59:00 GMT 2023`
Record UNII	84W6T83WJX
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

CYCLOBUTYROL CALCIUM

Common Name

English

Cyclobutyrol calcium [WHO-DD]

Common Name

English

CYCLOHEXANEACETIC ACID, .ALPHA.-ETHYL-1-HYDROXY-, CALCIUM SALT

Common Name

English

Code System Code Type Description

FDA UNII

84W6T83WJX