LOCICORTOLONE DICIBATE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C36H50Cl2O5
Molecular Weight	633.685
Optical Activity	UNSPECIFIED
Defined Stereocenters	8 / 8
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@@]12C[C@@H](C)[C@H](C(=O)COC(=O)OC(C3CCCCC3)C4CCCCC4)[C@@]1(C)C[C@H](Cl)[C@@]5(Cl)[C@@]2([H])CCC6=CC(=O)C=C[C@]56C

InChI

InChIKey=YHKWQBFYBUXNDL-MCCAODLFSA-N

InChI=1S/C36H50Cl2O5/c1-22-18-28-27-15-14-25-19-26(39)16-17-35(25,3)36(27,38)30(37)20-34(28,2)31(22)29(40)21-42-33(41)43-32(23-10-6-4-7-11-23)24-12-8-5-9-13-24/h16-17,19,22-24,27-28,30-32H,4-15,18,20-21H2,1-3H3/t22-,27+,28+,30+,31-,34+,35+,36+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C36H50Cl2O5
Molecular Weight	633.685
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	8 / 8
E/Z Centers	0
Optical Activity	UNSPECIFIED

Description
Sources: https://www.chemdrug.com/article/8/3284/16419499.html | https://www.ncbi.nlm.nih.gov/pubmed/7062053 | https://www.ncbi.nlm.nih.gov/pubmed/6113176

Locicortolone is an anti-inflammatory and antiallergic synthetic glucocorticoid. It has high glucocorticoid cytoplasmic receptor binding affinity in vitro (more than four times higher than dexamethasone) but comparable to dexamethasone relative TAT (tyrosine aminotransferase induction) activity. It has six times lower binding affinity to mineralocorticoid receptor in comparison to dexamethasone.

Originator

Approval Year

PubMed

Title	Date	PubMed
Binding of steroids to the progestin and glucocorticoid receptors analyzed by correspondence analysis.	1988 Jun	2897467

Sample Use Guides

In Vivo Use Guide

Single dose - 1 mg per rat

Route of Administration: Other

Substance Class	Chemical Created by `admin` on `Fri Dec 15 17:14:10 GMT 2023` Edited by `admin` on `Fri Dec 15 17:14:10 GMT 2023`
Record UNII	G87210HO7A
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

LOCICORTOLONE DICIBATE

Official Name

English

9,11.BETA.-DICHLORO-21-HYDROXY-16.ALPHA.-METHYLPREGNA-1,4-DIENE-3,20-DIONE DICYCLOHEXYLMETHYL CARBONATE

Common Name

English

locicortolone dicibate [INN]

Common Name

English

Classification Tree Code System Code

NCI_THESAURUS

C521