Compound Summary
beclomethasone
Compound Information
beclomethasone
Compound Name: | beclomethasone |
Compound CID: | 20469 |
Synonyms: | beclomethasone |
Iupac Name: | (8S,9R,10S,11S,13S,14S,16S,17R)-9-chloro-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one |
InChI: | InChI=1S/C22H29ClO5/c1-12-8-16-15-5-4-13-9-14(25)6-7-19(13,2)21(15,23)17(26)10-20(16,3)22(12,28)18(27)11-24/h6-7,9,12,15-17,24,26,28H,4-5,8,10-11H2,1-3H3/t12-,15-,16-,17-,19-,20-,21-,22-/m0/s1 |
InChIKey: | NBMKJKDGKREAPL-DVTGEIKXSA-N |
Canonical Smiles: | CC1CC2C3CCC4=CC(=O)C=CC4(C3(C(CC2(C1(C(=O)CO)O)C)O)Cl)C |
Isomeric Smiles: | C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@@]4([C@]3([C@H](C[C@@]2([C@]1(C(=O)CO)O)C)O)Cl)C |
Molecular Weight: | 408.9 |
Molecular Formula: | C22H29ClO5 |
Compound Structure
2D Structure:
3D Structure:
Computed Properties
beclomethasone
Molecular Weight: | 408.9 |
Molecular Formula: | C22H29ClO5 |
Hydrogen Bond Donor Count: | 3 |
Hydrogen Bond Acceptor Count: | 5 |
Rotatable Bond Count: | 2 |
Heavy Atom Count: | 28 |
Complexity: | 805 |
Synonyms
beclomethasone
Experimental Data
beclomethasone
Experimental Data Visualization
beclomethasone
Statistics Data
beclomethasone
Statistics Data Visualization
beclomethasone
