Compound Summary
beclomethasone
Compound Information
beclomethasone
Compound Name: | beclomethasone |
Compound CID: | 20469 |
Synonyms: | beclomethasone Beclometasone 4419-39-0 Beclomethasone Solution Beclometasona More... |
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
| beclomethasone | beclomethasone |
|---|---|
beclomethasone |
Beclometasone |
4419-39-0 |
Beclomethasone Solution |
Beclometasona |
Beclometasonum |
UNII-KGZ1SLC28Z |
9-Chloro-11beta,17,21-trihydroxy-16beta-methylpregna-1,4-diene-3,20-dione |
MLS000028668 |
KGZ1SLC28Z |
SMR000058899 |
CHEBI:3001 |
(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-octahydrocyclopentaaphenanthren-3-one |
9alpha-Chloro-16beta-methylprednisolone |
NCGC00164402-01 |
DSSTox_CID_20750 |
DSSTox_RID_79587 |
DSSTox_GSID_40750 |
Beclometasonum INN-Latin |
Beclometasona INN-Spanish |
(11beta,16beta)-9-chloro-11,17,21-trihydroxy-16-methylpregna-1,4-diene-3,20-dione |
(8~{S},9~{R},10~{S},11~{S},13~{S},14~{S},16~{S},17~{R})-9-chloranyl-10,13,16-trimethyl-11,17-bis(oxidanyl)-17-(2-oxidanylethanoyl)-6,7,8,11,12,14,15,16-octahydrocyclopentaaphenanthren-3-one |
CAS-4419-39-0 |
BMJ 5800 |
EINECS 224-585-9 |
Beclometasone INN:BAN |
pulvinal |
9-Chloro-11beta,17,21-trihydroxy-16beta-methylpregna-1,4-diene-3,20-dione (Beclometasone) |
Beclometason (TN) |
Beclometasone (INN) |
Opera_ID_1081 |
SCHEMBL3183 |
CHEMBL1586 |
cid_20469 |
MLS001076089 |
BIDD:GT0556 |
GTPL7059 |
DTXSID5040750 |
BCBcMAP01_000159 |
BDBM53488 |
AMY7469 |
9alpha-Chloro-16beta-methyl-1,4-pregnadiene-11beta,17alpha,21-triol-3,20-dione |
HMS2233A18 |
EX-A4423 |
HY-B1540 |
ZINC4097285 |
Tox21_112116 |
8060AH |
MFCD00135614 |
AKOS037645177 |
Tox21_112116_1 |
CS-5872 |
Pregna-1,4-diene-3,20-dione, 9-chloro-11,17,21-trihydroxy-16-methyl-, (11beta,16beta)- |
SMP1_000039 |
NCGC00179392-03 |
AS-58067 |
C06842 |
D07495 |
20528-EP2295402A2 |
20528-EP2295409A1 |
20528-EP2314585A1 |
20528-EP2314590A1 |
179957-EP2272832A1 |
A905224 |
SR-01000000273 |
SR-01000000273-4 |
Beclometasone. Short expiry date due to chemical nature of component(s) |
9alpha-Chloro-11beta,17alpha,21-trihydroxy-16beta-methylpregna-1,4-diene-3,20-dione |
Pregna-1,4-diene-3,20-dione,9-chloro-11,17,21-trihydroxy-16-methyl-, (11b,16b)- |
(8S,9R,10S,11S,13S,14S,16S,17R)-9-chloranyl-10,13,16-trimethyl-11,17-bis(oxidanyl)-17-(2-oxidanylethanoyl)-6,7,8,11,12,14,15,16-octahydrocyclopentaaphenanthren-3-one |
(8S,9R,10S,11S,13S,14S,16S,17R)-9-chloro-11,17-dihydroxy-17-(2-hydroxy-1-oxoethyl)-10,13,16-trimethyl-6,7,8,11,12,14,15,16-octahydrocyclopentaaphenanthren-3-one |
(8S,9R,10S,11S,13S,14S,16S,17R)-9-chloro-17-glycoloyl-11,17-dihydroxy-10,13,16-trimethyl-6,7,8,11,12,14,15,16-octahydrocyclopentaaphenanthren-3-one |
Beclometasone; (1R,2S,10S,11S,13S,14R,15S,17S)-1-Chloro-14-(2-glycoloyl)-14,17-dihydroxy-2,13,15-trimethyltetracyclo8.7.0.02,7.011,15heptadeca-3,6-dien-5-one |
GXR |
Experimental Data
beclomethasone
| Species | Dose | Unit | Control(Avg days) | Treatment(Avg days) | Avg/Med Lifespan Change(%) | Control(Max days) | Treatment(Max days) | Max Lifespan Change(%) | Significant | Strain | Gender | PubMed | Avg/Med Lifespan Change tab |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Caenorhabditis elegans | 33.000000000000000 | umol/L | -4.000000000000000 | NS | N2 | 24134630 | Inactive |
Experimental Data Visualization
beclomethasone
Statistics Data
beclomethasone
| Species | Avg/Med Lifespan Change(%) | Max Lifespan Change(%) | Count Reference | Count Data point |
|---|---|---|---|---|
| Caenorhabditis elegans | -4.000000000000000 | 1 | 1 |
Statistics Data Visualization
beclomethasone
