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Details

Stereochemistry ABSOLUTE
Molecular Formula C26H33ClO7
Molecular Weight 492.989
Optical Activity UNSPECIFIED
Defined Stereocenters 8 / 8
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 9-CHLORO TRIAMCINOLONE ACETONIDE 21-ACETATE

SMILES

[H][C@@]12C[C@H]3OC(C)(C)O[C@@]3(C(=O)COC(C)=O)[C@@]1(C)C[C@H](O)[C@@]4(Cl)[C@@]2([H])CCC5=CC(=O)C=C[C@]45C

InChI

InChIKey=IRHGAALQXFDXBJ-VHDCPBDGSA-N
InChI=1S/C26H33ClO7/c1-14(28)32-13-20(31)26-21(33-22(2,3)34-26)11-18-17-7-6-15-10-16(29)8-9-23(15,4)25(17,27)19(30)12-24(18,26)5/h8-10,17-19,21,30H,6-7,11-13H2,1-5H3/t17-,18-,19-,21+,23-,24-,25-,26+/m0/s1

HIDE SMILES / InChI

Molecular Formula C26H33ClO7
Molecular Weight 492.989
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 15:26:11 GMT 2023
Edited
by admin
on Fri Dec 15 15:26:11 GMT 2023
Record UNII
4SM7Q0E2FA
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
9-CHLORO TRIAMCINOLONE ACETONIDE 21-ACETATE
Common Name English
PREGNA-1,4-DIENE-3,20-DIONE, 9-CHLORO-11.BETA.,16.ALPHA.,17,21-TETRAHYDROXY-, CYCLIC 16,17-ACETAL WITH ACETONE, 21-ACETATE
Systematic Name English
PREGNA-1,4-DIENE-3,20-DIONE, 21-(ACETYLOXY)-9-CHLORO-11-HYDROXY-16,17-((1-METHYLETHYLIDENE)BIS(OXY))-, (11.BETA.,16.ALPHA.)-
Systematic Name English
9-CHLORO-11B,16A,17,21-TETRAHYDROXYPREGNA-1,4-DIENE-3,20-DIONE-16,17-ACETONIDE 21-ACETATE
Common Name English
Code System Code Type Description
PUBCHEM
71314823
Created by admin on Fri Dec 15 15:26:11 GMT 2023 , Edited by admin on Fri Dec 15 15:26:11 GMT 2023
PRIMARY
CAS
10392-75-3
Created by admin on Fri Dec 15 15:26:11 GMT 2023 , Edited by admin on Fri Dec 15 15:26:11 GMT 2023
PRIMARY
EPA CompTox
DTXSID50747352
Created by admin on Fri Dec 15 15:26:11 GMT 2023 , Edited by admin on Fri Dec 15 15:26:11 GMT 2023
PRIMARY
FDA UNII
4SM7Q0E2FA
Created by admin on Fri Dec 15 15:26:11 GMT 2023 , Edited by admin on Fri Dec 15 15:26:11 GMT 2023
PRIMARY