U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C24H31ClO6
Molecular Weight 450.952
Optical Activity UNSPECIFIED
Defined Stereocenters 8 / 8
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ICOMETASONE-21-ACETATE

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(C)=O

InChI

InChIKey=XHCFMNLEYHEXKU-RPRRAYFGSA-N
InChI=1S/C24H31ClO6/c1-13-9-18-17-6-5-15-10-16(27)7-8-21(15,3)23(17,25)19(28)11-22(18,4)24(13,30)20(29)12-31-14(2)26/h7-8,10,13,17-19,28,30H,5-6,9,11-12H2,1-4H3/t13-,17+,18+,19+,21+,22+,23+,24+/m1/s1

HIDE SMILES / InChI

Molecular Formula C24H31ClO6
Molecular Weight 450.952
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 11:07:42 GMT 2025
Edited
by admin
on Wed Apr 02 11:07:42 GMT 2025
Record UNII
QMP3UNH3SX
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
MOMETASONE FUROATE IMPURITY O [EP IMPURITY]
Preferred Name English
ICOMETASONE-21-ACETATE
Common Name English
PREGNA-1,4-DIENE-3,20-DIONE, 9-CHLORO-11.BETA.,17,21-TRIHYDROXY-16.ALPHA.-METHYL-, 21-ACETATE
Systematic Name English
(11.BETA.,16.ALPHA.)-21-(ACETYLOXY)-9-CHLORO-11,17-DIHYDROXY-16-METHYLPREGNA-1,4-DIENE-3,20-DIONE
Systematic Name English
PREGNA-1,4-DIENE-3,20-DIONE, 21-(ACETYLOXY)-9-CHLORO-11,17-DIHYDROXY-16-METHYL-, (11.BETA.,16.ALPHA.)-
Systematic Name English
9-CHLORO-11.BETA.,17-DIHYDROXY-16.ALPHA.-METHYL-3,20-DIOXOPREGNA-1,4-DIEN-21-YL ACETATE
Systematic Name English
Code System Code Type Description
CAS
24916-91-4
Created by admin on Wed Apr 02 11:07:42 GMT 2025 , Edited by admin on Wed Apr 02 11:07:42 GMT 2025
PRIMARY
FDA UNII
QMP3UNH3SX
Created by admin on Wed Apr 02 11:07:42 GMT 2025 , Edited by admin on Wed Apr 02 11:07:42 GMT 2025
PRIMARY
PUBCHEM
14862779
Created by admin on Wed Apr 02 11:07:42 GMT 2025 , Edited by admin on Wed Apr 02 11:07:42 GMT 2025
PRIMARY
Related Record Type Details
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP