Betamethasone Tripropionate is a Betamethasone related compound.
| Pubchem Sid | 504771927 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504771927 |
| Canonical Smiles | CCC(=O)OCC(=O)C1(C(CC2C1(CC(C3(C2CCC4=CC(=O)C=CC43C)F)OC(=O)CC)C)C)OC(=O)CC |
| IUPAC Name | [2-[(8S,9R,10S,11S,13S,14S,16S,17R)-9-fluoro-10,13,16-trimethyl-3-oxo-11,17-di(propanoyloxy)-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] propanoate |
| InChIKey | MWHBGLRGUXAGHT-DGBYXFBUSA-N |
| INCHI | 1S/C31H41FO8/c1-7-25(35)38-17-23(34)31(40-27(37)9-3)18(4)14-22-21-11-10-19-15-20(33)12-13-28(19,5)30(21,32)24(16-29(22,31)6)39-26(36)8-2/h12-13,15,18,21-22,24H,7-11,14,16-17H2,1-6H3/t18-,21-,22-,24-,28-,29-,30-,31-/m0/s1 |
| Isomeric SMILES | CCC(=O)OCC(=O)[C@]1([C@H](C[C@@H]2[C@@]1(C[C@@H]([C@]3([C@H]2CCC4=CC(=O)C=C[C@@]43C)F)OC(=O)CC)C)C)OC(=O)CC |
| PubChem CID | 68122919 |
| Molecular Weight | 560.65 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Lipids and lipid-like molecules |
| Class | Steroids and steroid derivatives |
| Subclass | Pregnane steroids |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Gluco/mineralocorticoids, progestogins and derivatives |
| Alternative Parents | Steroid esters 20-oxosteroids Halogenated steroids 3-oxo delta-1,4-steroids Delta-1,4-steroids Tricarboxylic acids and derivatives Alpha-acyloxy ketones Cyclic ketones Carboxylic acid esters Organofluorides Organic oxides Hydrocarbon derivatives Alkyl fluorides |
| Molecular Framework | Aliphatic homopolycyclic compounds |
| Substituents | Progestogin-skeleton - Steroid ester - 20-oxosteroid - 3-oxo-delta-1,4-steroid - 3-oxosteroid - Oxosteroid - 9-halo-steroid - Halo-steroid - Delta-1,4-steroid - Tricarboxylic acid or derivatives - Alpha-acyloxy ketone - Carboxylic acid ester - Cyclic ketone - Ketone - Carboxylic acid derivative - Organooxygen compound - Organic oxide - Hydrocarbon derivative - Organic oxygen compound - Carbonyl group - Alkyl halide - Alkyl fluoride - Organofluoride - Organohalogen compound - Aliphatic homopolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as gluco/mineralocorticoids, progestogins and derivatives. These are steroids with a structure based on a hydroxylated prostane moiety. |
| External Descriptors | Not available |
| Solubility | Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly) |
|---|---|
| Melt Point(°C) | 85 - 94°C |
| Molecular Weight | 560.600 g/mol |
| XLogP3 | 4.600 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 9 |
| Rotatable Bond Count | 11 |
| Exact Mass | 560.279 Da |
| Monoisotopic Mass | 560.279 Da |
| Topological Polar Surface Area | 113.000 Ų |
| Heavy Atom Count | 40 |
| Formal Charge | 0 |
| Complexity | 1170.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 8 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
K2217307