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

Details

Stereochemistry ABSOLUTE
Molecular Formula C40H59FO6
Molecular Weight 654.8913
Optical Activity UNSPECIFIED
Defined Stereocenters 8 / 8
E/Z Centers 2
Charge 0

SHOW SMILES / InChI
Structure of DEXAMETHASONE LINOLEATE

SMILES

[H][C@@]12C[C@@H](C)[C@](O)(C(=O)COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)[C@@]1(C)C[C@H](O)[C@@]3(F)[C@@]2([H])CCC4=CC(=O)C=C[C@]34C

InChI

InChIKey=JCTITVWENFVLBV-SIVNAAEPSA-N
InChI=1S/C40H59FO6/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-36(45)47-28-35(44)40(46)29(2)25-33-32-22-21-30-26-31(42)23-24-37(30,3)39(32,41)34(43)27-38(33,40)4/h9-10,12-13,23-24,26,29,32-34,43,46H,5-8,11,14-22,25,27-28H2,1-4H3/b10-9-,13-12-/t29-,32+,33+,34+,37+,38+,39+,40+/m1/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
DEXAMETHASONE LINOLEATE
Common Name English
ISF-2073
Code English
DEXAMETHASONE 21-LINOLEATE
Common Name English
PREGNA-1,4-DIENE-3,20-DIONE, 9-FLUORO-11,17-DIHYDROXY-16-METHYL-21-((1-OXO-9,12-OCTADECADIENYL)OXY)-, (11.BETA.,16.ALPHA.,21(9Z,12Z))-
Systematic Name English
PREGNA-1,4-DIENE-3,20-DIONE, 9-FLUORO-11.BETA.,17,21-TRIHYDROXY-16.ALPHA.-METHYL-, 21-LINOLEATE
Systematic Name English
Code System Code Type Description
SMS_ID
100000176849
Created by admin on Sat Dec 16 08:50:56 GMT 2023 , Edited by admin on Sat Dec 16 08:50:56 GMT 2023
PRIMARY
ECHA (EC/EINECS)
254-254-4
Created by admin on Sat Dec 16 08:50:56 GMT 2023 , Edited by admin on Sat Dec 16 08:50:56 GMT 2023
PRIMARY
PUBCHEM
6435929
Created by admin on Sat Dec 16 08:50:56 GMT 2023 , Edited by admin on Sat Dec 16 08:50:56 GMT 2023
PRIMARY
FDA UNII
C3Q9VSP7C9
Created by admin on Sat Dec 16 08:50:56 GMT 2023 , Edited by admin on Sat Dec 16 08:50:56 GMT 2023
PRIMARY
CAS
39026-39-6
Created by admin on Sat Dec 16 08:50:56 GMT 2023 , Edited by admin on Sat Dec 16 08:50:56 GMT 2023
PRIMARY