CINOXOLONE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C41H56O5
Molecular Weight	628.8803
Optical Activity	UNSPECIFIED
Defined Stereocenters	9 / 9
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@@]12C[C@](C)(CC[C@]1(C)CC[C@]3(C)C2=CC(=O)[C@]4([H])[C@@]5(C)CC[C@H](OC(C)=O)C(C)(C)[C@]5([H])CC[C@@]34C)C(=O)OCC=CC6=CC=CC=C6

InChI

InChIKey=QTPSNPBHOMYPHQ-ZDEFRKAISA-N

InChI=1S/C41H56O5/c1-27(42)46-33-17-18-39(6)32(36(33,2)3)16-19-41(8)34(39)31(43)25-29-30-26-38(5,21-20-37(30,4)22-23-40(29,41)7)35(44)45-24-12-15-28-13-10-9-11-14-28/h9-15,25,30,32-34H,16-24,26H2,1-8H3/b15-12-/t30-,32-,33-,34+,37+,38-,39-,40+,41+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C41H56O5
Molecular Weight	628.8803
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	9 / 9
E/Z Centers	1
Optical Activity	UNSPECIFIED

Description
Sources: https://books.google.ru/books?id=x2Su3GKCvtsC&pg=PA3369&lpg=PA3369&dq=CINOXOLONE&source=bl#v=onepage&q=CINOXOLONE&f=false | https://www.ncbi.nlm.nih.gov/pubmed/3418512

Cinoxolone is a derivative of glycyrrhetinic acid. Is is claimed to possess antiulcer properties.

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 16:01:28 GMT 2023` Edited by `admin` on `Sat Dec 16 16:01:28 GMT 2023`
Record UNII	3LNU79AO9S
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

CINOXOLONE

Official Name

English

CINNAMYL 3.BETA.-HYDROXY-11-OXOOLEAN-12-EN-30-OATE ACETATE

Common Name

English

BX-311

Code

English

cinoxolone [INN]

Common Name

English

BX 311

Code

English

Classification Tree Code System Code

NCI_THESAURUS

C29701