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

Details

Stereochemistry ABSOLUTE
Molecular Formula C30H34F2N2O10
Molecular Weight 620.5952
Optical Activity UNSPECIFIED
Defined Stereocenters 8 / 8
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of TRIAMCINOLONE ACETONIDE 21(5-FLUOROURACIL METHYL FORMATE)

SMILES

[H][C@@]12C[C@@]3([H])[C@]4([H])CCC5=CC(=O)C=C[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@@]1(OC(C)(C)O2)C(=O)COC(=O)OCN6C=C(F)C(=O)NC6=O

InChI

InChIKey=YTNUTTPAGKVBAL-ZXPAKUKWSA-N
InChI=1S/C30H34F2N2O10/c1-26(2)43-22-10-18-17-6-5-15-9-16(35)7-8-27(15,3)29(17,32)20(36)11-28(18,4)30(22,44-26)21(37)13-41-25(40)42-14-34-12-19(31)23(38)33-24(34)39/h7-9,12,17-18,20,22,36H,5-6,10-11,13-14H2,1-4H3,(H,33,38,39)/t17-,18-,20-,22+,27-,28-,29-,30+/m0/s1

HIDE SMILES / InChI

Molecular Formula C30H34F2N2O10
Molecular Weight 620.5952
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 Sat Dec 16 04:57:56 GMT 2023
Edited
by admin
on Sat Dec 16 04:57:56 GMT 2023
Record UNII
F4Q94B6ZNP
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
TRIAMCINOLONE ACETONIDE 21(5-FLUOROURACIL METHYL FORMATE)
Common Name English
CDS-TC-32
Code English
TC-32
Code English
PREGNA-1,4-DIENE-3,20-DIONE, 9-FLUORO-21-((((5-FLUORO-3,4-DIHYDRO-2,4-DIOXO-1(2H)-PYRIMIDINYL)METHOXY)CARBONYL)OXY)-11-HYDROXY-16,17-((1-METHYLETHYLIDENE)BIS(OXY))-, (11.BETA.,16.ALPHA.)-
Systematic Name English
Code System Code Type Description
PUBCHEM
9873852
Created by admin on Sat Dec 16 04:57:57 GMT 2023 , Edited by admin on Sat Dec 16 04:57:57 GMT 2023
PRIMARY
FDA UNII
F4Q94B6ZNP
Created by admin on Sat Dec 16 04:57:57 GMT 2023 , Edited by admin on Sat Dec 16 04:57:57 GMT 2023
PRIMARY
CAS
474459-72-8
Created by admin on Sat Dec 16 04:57:57 GMT 2023 , Edited by admin on Sat Dec 16 04:57:57 GMT 2023
PRIMARY
Related Record Type Details
METABOLITE ACTIVE -> PRODRUG