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 9-CHLORO TRIAMCINOLONE ACETONIDE

SMILES

[H][C@@]12C[C@@]3([H])[C@]4([H])CCC5=CC(=O)C=C[C@]5(C)[C@@]4(Cl)[C@@H](O)C[C@]3(C)[C@@]1(OC(C)(C)O2)C(=O)CO

InChI

InChIKey=QODVCCAEPMVWNP-JNQJZLCISA-N
InChI=1S/C24H31ClO6/c1-20(2)30-19-10-16-15-6-5-13-9-14(27)7-8-21(13,3)23(15,25)17(28)11-22(16,4)24(19,31-20)18(29)12-26/h7-9,15-17,19,26,28H,5-6,10-12H2,1-4H3/t15-,16-,17-,19+,21-,22-,23-,24+/m0/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 Fri Dec 15 15:16:45 GMT 2023
Edited
by admin
on Fri Dec 15 15:16:45 GMT 2023
Record UNII
J9FT6YE0SA
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
9-CHLORO TRIAMCINOLONE ACETONIDE
Common Name English
9-CHLORO-11.BETA.,21-DIHYDROXY-16.ALPHA.,17-(1-METHYLETHYLIDENEDIOXY)PREGNA-1,4-DIENE-3,20-DIONE
Systematic Name English
TRIAMCINOLONE ACETONIDE IMPURITY D [EP IMPURITY]
Common Name English
PREGNA-1,4-DIENE-3,20-DIONE, 9-CHLORO-11,21-DIHYDROXY-16,17-((1-METHYLETHYLIDENE)BIS(OXY))-, (11.BETA.,16.ALPHA.)-
Systematic Name English
9.ALPHA.-CHLORO TRIAMCINOLONE ACETONIDE
Common Name English
Code System Code Type Description
EPA CompTox
DTXSID001111650
Created by admin on Fri Dec 15 15:16:46 GMT 2023 , Edited by admin on Fri Dec 15 15:16:46 GMT 2023
PRIMARY
FDA UNII
J9FT6YE0SA
Created by admin on Fri Dec 15 15:16:46 GMT 2023 , Edited by admin on Fri Dec 15 15:16:46 GMT 2023
PRIMARY
CAS
10392-74-2
Created by admin on Fri Dec 15 15:16:46 GMT 2023 , Edited by admin on Fri Dec 15 15:16:46 GMT 2023
PRIMARY
PUBCHEM
72941496
Created by admin on Fri Dec 15 15:16:46 GMT 2023 , Edited by admin on Fri Dec 15 15:16:46 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> IMPURITY
UNSPECIFIED
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP