Ciclometasone

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C32H44ClNO7
Molecular Weight	590.147
Optical Activity	UNSPECIFIED
Defined Stereocenters	8 / 8
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)COC(=O)C5CCC(CNC(C)=O)CC5

InChI

InChIKey=UYVYDRXVNVNQEA-BJTOFBPUSA-N

InChI=1S/C32H44ClNO7/c1-18-13-25-24-10-9-22-14-23(36)11-12-29(22,3)31(24,33)26(37)15-30(25,4)32(18,40)27(38)17-41-28(39)21-7-5-20(6-8-21)16-34-19(2)35/h11-12,14,18,20-21,24-26,37,40H,5-10,13,15-17H2,1-4H3,(H,34,35)/t18-,20?,21?,24-,25-,26-,29-,30-,31-,32-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C32H44ClNO7
Molecular Weight	590.147
Charge	0
Count

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

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 08:40:45 GMT 2025` Edited by `admin` on `Wed Apr 02 08:40:45 GMT 2025`
Record UNII	85H8W42FJ2
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Ciclometasone

Common Name

English

Pregna-1,4-diene-3,20-dione, 21-[[[4-[(acetylamino)methyl]cyclohexyl]carbonyl]oxy]-9-chloro-11,17-dihydroxy-16-methyl-, (11?,16?)-

Preferred Name

English

Code System Code Type Description

EPA CompTox

DTXSID401337167