ITROCINONIDE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C29H38F2O9
Molecular Weight	568.6034
Optical Activity	UNSPECIFIED
Defined Stereocenters	11 / 11
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@@]12C[C@@]3([H])[C@]4([H])C[C@H](F)C5=CC(=O)C=C[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@@]1(O[C@H](CCC)O2)C(=O)O[C@H](C)OC(=O)OCC

InChI

InChIKey=GCELVROFGZYBHY-JUVXQCODSA-N

InChI=1S/C29H38F2O9/c1-6-8-23-39-22-13-17-18-12-20(30)19-11-16(32)9-10-26(19,4)28(18,31)21(33)14-27(17,5)29(22,40-23)24(34)37-15(3)38-25(35)36-7-2/h9-11,15,17-18,20-23,33H,6-8,12-14H2,1-5H3/t15-,17-,18-,20-,21-,22+,23+,26-,27-,28-,29-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C29H38F2O9
Molecular Weight	568.6034
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	11 / 11
E/Z Centers	0
Optical Activity	UNSPECIFIED

Description
Sources: https://www.ncbi.nlm.nih.gov/pubmed/17020532 | https://www.karger.com/Article/PDF/62178

ITROCINONIDE is a synthetic corticosteroid which showed no signs of systemic activity (cortisol depression).

Originator

Approval Year

PubMed

Title	Date	PubMed
Corticosteroid design for the treatment of asthma: structural insights and the therapeutic potential of soft corticosteroids.	2006	17020532

Substance Class	Chemical Created by `admin` on `Sat Dec 16 17:02:37 UTC 2023` Edited by `admin` on `Sat Dec 16 17:02:37 UTC 2023`
Record UNII	2ZW8NEP6PQ
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ITROCINONIDE

Official Name

English

6.ALPHA.,9-DIFLUORO-11.BETA.,16.ALPHA.,17-TRIHYDROXY-3-OXOANDROSTA-1,4-DIENE-17.BETA.-CARBOXYLIC ACID, ESTER WITH ETHYL (S)-1-HYDROXYETHYL CARBONATE, CYCLIC (R)-16,17-ACETAL WITH BUTYRALDEHYDE

Common Name

English

itrocinonide [INN]

Common Name

English

Classification Tree Code System Code

NCI_THESAURUS

C211