EcoDrugPlus


Synonyms	Beclometasone Beclomethasone
Status
Molecule Category	Free-form
UNII	KGZ1SLC28Z
EPA CompTox	DTXSID5040750

Synonyms

Beclometasone

Beclomethasone

Status

Molecule Category

Free-form

UNII

KGZ1SLC28Z

EPA CompTox

DTXSID5040750


InChI Key	NBMKJKDGKREAPL-DVTGEIKXSA-N
Smiles	C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CO
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

InChI Key

NBMKJKDGKREAPL-DVTGEIKXSA-N

Smiles

C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CO

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

Property Name	Value
Molecular Formula	C22H29ClO5
Molecular Weight	408.92
AlogP	2.17
Hydrogen Bond Acceptor	5.0
Hydrogen Bond Donor	3.0
Number of Rotational Bond	2.0
Polar Surface Area	94.83
Molecular species	NEUTRAL
Aromatic Rings	0.0
Heavy Atoms	28.0

Property Name

Value

Molecular Formula

C22H29ClO5

Molecular Weight

408.92

AlogP

2.17

Hydrogen Bond Acceptor

5.0

Hydrogen Bond Donor

3.0

Number of Rotational Bond

2.0

Polar Surface Area

94.83

Molecular species

NEUTRAL

Aromatic Rings

0.0

Heavy Atoms

28.0

Resources	Reference
ChEBI	3001
ChEMBL	CHEMBL1586
FDA SRS	KGZ1SLC28Z
Guide to Pharmacology	7059
KEGG	C06842
PDB	GXR
PharmGKB	PA448547
SureChEMBL	SCHEMBL3183
ZINC	ZINC000004097285

Resources

Reference

ChEBI

3001

ChEMBL

CHEMBL1586

FDA SRS

KGZ1SLC28Z

Guide to Pharmacology

KEGG

PDB

PharmGKB

SureChEMBL

ZINC

EcoDrug+ was developed under the PREMIER Innovative Medicines Initiative 2 Joint Undertaking (JU) under grant agreement No 875508. The JU receives support from the EU’s Horizon 2020 research and innovation programme and the European Federation of Pharmaceutical Industries and Associations (EFPIA). The views reflect only the authors’ perspective and the JU is not responsible for any use that may be made of the information EcoDrug+ contains.

Elements of EcoDrug+ were developed under the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT Center for Science Ltd is thanked for providing computational resources. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).

Content of EcoDrug+ is provided without guarantee for correctness.

Cite Us:

Ashenafi Legehar, Siobhán Monaghan, Mael Briand, Akseli Niemelä, Leo Ghemtio, Ziaurrehman Tanoli, A Ross Brown, Charles R Tyler, Henri Xhaard, EcoDrug PLUS: an advanced database for drug target conservation analysis and environmental risk assessment, Nucleic Acids Research, 2025, gkaf1251 Read...

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Last update: Monday, 3 November 2025

BECLOMETHASONE

Structure

Physicochemical Descriptors

Cross References