TRIAMCINOLONE DIACETATE

Search structure
Trade Names:
Synonyms:
Status: Approved (1959)
Entry Type: Small molecule
Molecule Category: Salt Prodrug
UNII: A73MM2Q32P
Parent Compound: TRIAMCINOLONE

Structure
InChI Key XGMPVBXKDAHORN-RBWIMXSLSA-N
Smile CC(=O)OCC(=O)[C@@]1(O)[C@H](OC(C)=O)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C
InChI
InChI=1S/C25H31FO8/c1-13(27)33-12-20(31)25(32)21(34-14(2)28)10-18-17-6-5-15-9-16(29)7-8-22(15,3)24(17,26)19(30)11-23(18,25)4/h7-9,17-19,21,30,32H,5-6,10-12H2,1-4H3/t17-,18-,19-,21+,22-,23-,24-,25+/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C25H31FO8
Molecular Weight 478.51
AlogP 1.76
Hydrogen Bond Acceptor 8.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 4.0
Polar Surface Area 127.2
Molecular species NEUTRAL
Aromatic Rings 0.0
Heavy Atoms 34.0

Pharmacology

Action Mechanism of Action Reference
AGONIST Glucocorticoid receptor agonist ISBN PubMed Wikipedia FDA
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides
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Indications

Mesh Heading Maximum Phase Mesh ID Reference

Related Entries

Scaffolds

Parent

Adverse Reactions

SOC By Demographic Distribution
System Organ Classification (SOC)
Relative Frequency (%)
Psychiatric disorders
14.85
Musculoskeletal and connective tissue disorders
13.86
Endocrine disorders
10.89
Nervous system disorders
10.89
Skin and subcutaneous tissue disorders
10.89
Metabolism and nutrition disorders
9.9
Injury, poisoning and procedural complications
7.92
Vascular disorders
7.92
General disorders and administration site conditions
6.93

Cross References

Resources Reference
ChEBI 9669
ChEMBL CHEMBL1200449
DrugCentral 2727
EPA CompTox DTXSID0048713
FDA SRS A73MM2Q32P
KEGG C08184
PubChem 6216
SureChEMBL SCHEMBL12549
ZINC ZINC000003875441
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