triamcinolone   Click here for help

GtoPdb Ligand ID: 2870

Synonyms: fluoxiprednisolone | Kenalog® | Nasacort®
Approved drug Immunopharmacology Ligand
triamcinolone is an approved drug (FDA (1957))
Compound class: Synthetic organic
Comment: Triamcinolone is a synthetic glucocorticoid anti-inflammatory drug. The approved drug is often administered in the formulation triamcinolone acetonide. Hexacetonide, furetonide and benetonide forms are also used in the clinic, and have individual INNs.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 6
Hydrogen bond donors 4
Rotatable bonds 2
Topological polar surface area 115.06
Molecular weight 394.18
XLogP 0.67
No. Lipinski's rules broken 0
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Canonical SMILES OCC(=O)C1(O)C(O)CC2C1(C)CC(O)C1(C2CCC2=CC(=O)C=CC12C)F
Isomeric SMILES OCC(=O)[C@@]1(O)[C@H](O)C[C@@H]2[C@]1(C)C[C@H](O)[C@]1([C@H]2CCC2=CC(=O)C=C[C@]12C)F
InChI InChI=1S/C21H27FO6/c1-18-6-5-12(24)7-11(18)3-4-13-14-8-15(25)21(28,17(27)10-23)19(14,2)9-16(26)20(13,18)22/h5-7,13-16,23,25-26,28H,3-4,8-10H2,1-2H3/t13-,14-,15+,16-,18-,19-,20-,21-/m0/s1
Classification Click here for help
Compound class Synthetic organic
Approved drug? Yes (FDA (1957))
IUPAC Name Click here for help
International Nonproprietary Names Click here for help
INN number INN
755 triamcinolone
Synonyms Click here for help
fluoxiprednisolone | Kenalog® | Nasacort®
Database Links Click here for help
Specialist databases
Reactome Drug Reactome logo R-ALL-9679094
Reactome Reaction Reactome logo R-HSA-9678925
Other databases
BindingDB Ligand 41132
CAS Registry No. 124-94-7 (source: Scifinder)
ChEMBL Ligand CHEMBL1451
DrugBank Ligand DB00620
DrugCentral Ligand 2725
GtoPdb PubChem SID 135651276
PubChem CID 31307
Search Google for chemical match using the InChIKey GFNANZIMVAIWHM-OBYCQNJPSA-N
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UniChem Compound Search for chemical match using the InChIKey GFNANZIMVAIWHM-OBYCQNJPSA-N
UniChem Connectivity Search for chemical match using the InChIKey GFNANZIMVAIWHM-OBYCQNJPSA-N
Wikipedia Triamcinolone