Triamcinolone Acetonide Sodium Phosphate
PubChem CID
16147
Structure
Molecular Formula
Synonyms
- TRIAMCINOLONE ACETONIDE SODIUM PHOSPHATE
- 1997-15-5
- Aristosol
- CL 61965
- CL 106359
Molecular Weight
558.4 g/mol
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Parent Compound
Dates
- Create:2005-08-08
- Modify:2025-01-11
Chemical Structure Depiction
3D Conformer of Parent
disodium;[2-[(1S,2S,4R,8S,9S,11S,12R,13S)-12-fluoro-11-hydroxy-6,6,9,13-tetramethyl-16-oxo-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-8-yl]-2-oxoethyl] phosphate
Computed by Lexichem TK 2.7.0 (PubChem release 2021.10.14)
InChI=1S/C24H32FO9P.2Na/c1-20(2)33-19-10-16-15-6-5-13-9-14(26)7-8-21(13,3)23(15,25)17(27)11-22(16,4)24(19,34-20)18(28)12-32-35(29,30)31;;/h7-9,15-17,19,27H,5-6,10-12H2,1-4H3,(H2,29,30,31);;/q;2*+1/p-2/t15-,16-,17-,19+,21-,22-,23-,24+;;/m0../s1
Computed by InChI 1.0.6 (PubChem release 2021.10.14)
XCMJCLDAGKYHPP-AREPQIRLSA-L
Computed by InChI 1.0.6 (PubChem release 2021.10.14)
C[C@]12C[C@@H]([C@]3([C@H]([C@@H]1C[C@@H]4[C@]2(OC(O4)(C)C)C(=O)COP(=O)([O-])[O-])CCC5=CC(=O)C=C[C@@]53C)F)O.[Na+].[Na+]
Computed by OEChem 2.3.0 (PubChem release 2024.12.12)
C24H30FNa2O9P
Computed by PubChem 2.2 (PubChem release 2021.10.14)
1997-15-5
- TRIAMCINOLONE ACETONIDE SODIUM PHOSPHATE
- 1997-15-5
- Aristosol
- CL 61965
- CL 106359
- UNII-R2MZ7K74S8
- CL-1965
- R2MZ7K74S8
- EINECS 217-878-8
- Triamcinolone acetonide sodium Phosphate [USAN]
- CL-61965
- CL-106359
- SODIUM PHOSPHATE TRIAMCINOLONE ACETONIDE
- Triamcinolone acetonide sodium phosphate (USAN)
- Pregna-1,4-diene-3,20-dione, 9-fluoro-11-hydroxy-16,17-[(1-methylethylidene)bis(oxy)]-21-(phosphonooxy)-, disodium salt, (11beta,16alpha)-
- Pregna-1,4-diene-3,20-dione, 9-fluoro-11.beta.,16.alpha.,17,21-tetrahydroxy-, cyclic 16,17-acetal with acetone, 21-(dihydrogen phosphate), disodium salt
- Triamcinolone acetonide 21-disodium phosphate
- TRIAMCINOLONE ACETONIDE SODIUM PHOSPHATE [WHO-DD]
- TRIAMCINOLONE ACETONIDE 21-DISODIUM PHOSPHATE [MI]
- 9-FLUORO-11.BETA.,16.ALPHA.,17,21-TETRAHYDROXYPREGNA-1,4-DIENE-3,20-DIONE CYCLIC 16,17-ACETAL WITH ACETONE 21-(DISODIUM PHOSPHATE)
- 9.ALPHA.-FLUORO-11.BETA.,21-DIHYDROXY-16.ALPHA.,17.ALPHA.-(ISOPROPYLIDENEDIOXY)-1,4-PREGNADIENE-3,20-DIONE 21-(DISODIUM PHOSPHATE)
- 9.ALPHA.-FLUORO-16.ALPHA.-HYDROXYPREDNISOLONE 16.ALPHA.,17.ALPHA.-ACETONIDE 21-DISODIUM PHOSPHATE
- disodium;[2-[(1S,2S,4R,8S,9S,11S,12R,13S)-12-fluoro-11-hydroxy-6,6,9,13-tetramethyl-16-oxo-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-8-yl]-2-oxoethyl] phosphate
- PREGNA-1,4-DIENE-3,20-DIONE, 9-FLUORO-11-HYDROXY-16,17-((1-METHYLETHYLIDENE)BIS(OXY))-21-(PHOSPHONOOXY)-, DISODIUM SALT, (11.BETA.,16.ALPHA.)-
- Pregna-1,4-diene-3,20-dione, 9-fluoro-11-hydroxy-16,17-((1-methylethylidene)bis(oxy))-21-(phosphonooxy)-, disodium salt, (11beta,16alpha)-
- CHEMBL3989672
- DTXSID30941876
- 9-Fluoro-11beta,16alpha,17,21-tetrahydroxypregna-1,4-diene-3,20-dione cyclic 16,17-acetal with acetone 21-(dihydrogen phosphate) disodium salt
- D06216
- Q27287706
- 9-FLUORO-11BETA,16ALPHA,17,21-TETRAHYDROXYPREGNA-1,4-DIENE-3,20-DIONE CYCLIC 16,17-ACETAL WITH ACETONE 21-(DISODIUM PHOSPHATE)
- 9ALPHA-FLUORO-11BETA,21-DIHYDROXY-16ALPHA,17ALPHA-(ISOPROPYLIDENEDIOXY)-1,4-PREGNADIENE-3,20-DIONE 21-(DISODIUM PHOSPHATE)
- 9ALPHA-FLUORO-16ALPHA-HYDROXYPREDNISOLONE 16ALPHA,17ALPHA-ACETONIDE 21-DISODIUM PHOSPHATE
- Disodium 2-(4b-fluoro-5-hydroxy-4a,6a,8,8-tetramethyl-2-oxo-2,4a,4b,5,6,6a,9a,10,10a,10b,11,12-dodecahydro-6bH,8H-naphtho[2',1':4,5]indeno[1,2-d][1,3]dioxol-6b-yl)-2-oxoethyl phosphate
- PREGNA-1,4-DIENE-3,20-DIONE, 9-FLUORO-11-HYDROXY-16,17-((1-METHYLETHYLIDENE)BIS(OXY))-21-(PHOSPHONOOXY)-, SODIUM SALT (1:2), (11.BETA.,16.ALPHA.)-
- PREGNA-1,4-DIENE-3,20-DIONE, 9-FLUORO-11BETA,16ALPHA,17,21-TETRAHYDROXY-, CYCLIC 16,17-ACETAL WITH ACETONE, 21-(DIHYDROGEN PHOSPHATE), DISODIUM SALT
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
558.4 g/mol
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
Hydrogen Bond Donor Count
Property Value
1
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Hydrogen Bond Acceptor Count
Property Value
10
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Rotatable Bond Count
Property Value
3
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Exact Mass
Property Value
558.14068625 Da
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
Monoisotopic Mass
Property Value
558.14068625 Da
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
Topological Polar Surface Area
Property Value
145 Ų
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Heavy Atom Count
Property Value
37
Reference
Computed by PubChem
Property Name
Formal Charge
Property Value
0
Reference
Computed by PubChem
Property Name
Complexity
Property Value
1090
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Isotope Atom Count
Property Value
0
Reference
Computed by PubChem
Property Name
Defined Atom Stereocenter Count
Property Value
8
Reference
Computed by PubChem
Property Name
Undefined Atom Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Defined Bond Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Undefined Bond Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Covalently-Bonded Unit Count
Property Value
3
Reference
Computed by PubChem
Property Name
Compound Is Canonicalized
Property Value
Yes
Reference
Computed by PubChem (release 2021.10.14)
Follow these links to do a live 2D search or do a live 3D search for this compound, sorted by annotation score. This section is deprecated (see here for details), but these live search links provide equivalent functionality to the table that was previously shown here.
Same Connectivity Count
Same Parent, Connectivity Count
Same Parent, Exact Count
Mixtures, Components, and Neutralized Forms Count
Similar Compounds (2D)
Similar Conformers (3D)
Same Count
Gene Count
Patents are available for this chemical structure:
https://patentscope.wipo.int/search/en/result.jsf?inchikey=XCMJCLDAGKYHPP-AREPQIRLSA-L
- ChEMBLLICENSEAccess to the web interface of ChEMBL is made under the EBI's Terms of Use (http://www.ebi.ac.uk/Information/termsofuse.html). The ChEMBL data is made available on a Creative Commons Attribution-Share Alike 3.0 Unported License (http://creativecommons.org/licenses/by-sa/3.0/).http://www.ebi.ac.uk/Information/termsofuse.html
- ChemIDplusTriamcinolone acetonide sodium Phosphate [USAN]https://pubchem.ncbi.nlm.nih.gov/substance/?source=chemidplus&sourceid=0001997155ChemIDplus Chemical Information Classificationhttps://pubchem.ncbi.nlm.nih.gov/source/ChemIDplus
- EPA DSSToxDisodium 2-(4b-fluoro-5-hydroxy-4a,6a,8,8-tetramethyl-2-oxo-2,4a,4b,5,6,6a,9a,10,10a,10b,11,12-dodecahydro-6bH,8H-naphtho[2',1':4,5]indeno[1,2-d][1,3]dioxol-6b-yl)-2-oxoethyl phosphatehttps://comptox.epa.gov/dashboard/DTXSID30941876CompTox Chemicals Dashboard Chemical Listshttps://comptox.epa.gov/dashboard/chemical-lists/
- European Chemicals Agency (ECHA)LICENSEUse of the information, documents and data from the ECHA website is subject to the terms and conditions of this Legal Notice, and subject to other binding limitations provided for under applicable law, the information, documents and data made available on the ECHA website may be reproduced, distributed and/or used, totally or in part, for non-commercial purposes provided that ECHA is acknowledged as the source: "Source: European Chemicals Agency, http://echa.europa.eu/". Such acknowledgement must be included in each copy of the material. ECHA permits and encourages organisations and individuals to create links to the ECHA website under the following cumulative conditions: Links can only be made to webpages that provide a link to the Legal Notice page.https://echa.europa.eu/web/guest/legal-noticePregna-1,4-diene-3,20-dione, 9-fluoro-11-hydroxy-16,17-[(1-methylethylidene)bis(oxy)]-21-(phosphonooxy)-, disodium salt, (11β,16α)-https://echa.europa.eu/substance-information/-/substanceinfo/100.016.254
- FDA Global Substance Registration System (GSRS)LICENSEUnless otherwise noted, the contents of the FDA website (www.fda.gov), both text and graphics, are not copyrighted. They are in the public domain and may be republished, reprinted and otherwise used freely by anyone without the need to obtain permission from FDA. Credit to the U.S. Food and Drug Administration as the source is appreciated but not required.https://www.fda.gov/about-fda/about-website/website-policies#linkingTRIAMCINOLONE ACETONIDE SODIUM PHOSPHATEhttps://gsrs.ncats.nih.gov/ginas/app/beta/substances/R2MZ7K74S8
- Japan Chemical Substance Dictionary (Nikkaji)
- KEGGLICENSEAcademic users may freely use the KEGG website. Non-academic use of KEGG generally requires a commercial licensehttps://www.kegg.jp/kegg/legal.htmlAnatomical Therapeutic Chemical (ATC) classificationhttp://www.genome.jp/kegg-bin/get_htext?br08303.kegTarget-based classification of drugshttp://www.genome.jp/kegg-bin/get_htext?br08310.keg
- NCI Thesaurus (NCIt)LICENSEUnless otherwise indicated, all text within NCI products is free of copyright and may be reused without our permission. Credit the National Cancer Institute as the source.https://www.cancer.gov/policies/copyright-reuseNCI Thesaurushttps://ncit.nci.nih.gov
- Springer Nature
- Wikidatatriamcinolone acetonide sodium phosphatehttps://www.wikidata.org/wiki/Q27287706
- PubChem
- MolGenieMolGenie Organic Chemistry Ontologyhttps://github.com/MolGenie/ontology/
- PATENTSCOPE (WIPO)SID 397213104https://pubchem.ncbi.nlm.nih.gov/substance/397213104
CONTENTS