Substance
- Substance Name: beclomethasone dipropionate
- Formula: C28H37ClO7
- Molecular Weight: 521.0 g/mol
- Identifiers:
- casrn: 5534-09-8
- pubchemId: 21700
- iupacname: [2-[(8S,9R,10S,11S,13S,14S,16S,17R)-9-chloro-11-hydroxy-10,13,16-trimethyl-3-oxo-17-propanoyloxy-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] propanoate
- inchi: InChI=1S/C28H37ClO7/c1-6-23(33)35-15-22(32)28(36-24(34)7-2)16(3)12-20-19-9-8-17-13-18(30)10-11-25(17,4)27(19,29)21(31)14-26(20,28)5/h10-11,13,16,19-21,31H,6-9,12,14-15H2,1-5H3/t16-,19-,20-,21-,25-,26-,27-,28-/m0/s1
- inchikey: KUVIULQEHSCUHY-XYWKZLDCSA-N
- csmiles: CCC(=O)OCC(=O)C1(C(CC2C1(CC(C3(C2CCC4=CC(=O)C=CC43C)Cl)O)C)C)OC(=O)CC
- ismiles: 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)Cl)O)C)C)OC(=O)CC
- wikidataId: Q421475
- chemspiderId: 20396
- dsstoxcmpId: DTXCID6028656
- chemblId: CHEMBL1200500
- ecnumber: 226-886-0
beclomethasone dipropionate
Systems and Datasets
- beclomethasone dipropionate + water (Datasets: 1)
- Dataset 4 in paper 10.1021/acs.jced.6b00997 (Dataseries: 1, Datapoints: 7, Quantity: Mole fraction)