Betamethasone

Name: Betamethasone — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₂₂H₂₉FO₅ — CID 9782

💊View drug profile → betamethasone

Data last refreshed: 2026-04-14 (MolForge compound catalog, from PubChem)

IUPAC(8S,9R,10S,11S,13S,14S,16S,17R)-9-fluoro-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one

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

InChIInChI=1S/C22H29FO5/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

InChIKeyUREBDLICKHMUKA-DVTGEIKXSA-N

MW392.47 g/mol

LogP1.90

Rot. Bonds2

About Betamethasone

Betamethasone (PubChem CID 9782) has the molecular formula C₂₂H₂₉FO₅ and a molecular weight of 392.47 g/mol. Its IUPAC name is (8S,9R,10S,11S,13S,14S,16S,17R)-9-fluoro-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one.

Molecular Properties

Compound Name	Betamethasone
PubChem CID	9782
Molecular Formula	C₂₂H₂₉FO₅
Molecular Weight	392.47 g/mol
Exact Mass	392.20
IUPAC Name	(8S,9R,10S,11S,13S,14S,16S,17R)-9-fluoro-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one
SMILES	C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CO
InChI	InChI=1S/C22H29FO5/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	UREBDLICKHMUKA-DVTGEIKXSA-N
XLogP	1.90
TPSA	94.83 Å²
H-Bond Donors	3
H-Bond Acceptors	5
Rotatable Bonds	2
Heavy Atoms	28
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	392.47
LogP ≤ 5	1.90
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Related Compounds

Frequently Asked Questions

What is the IUPAC name of Betamethasone?

The IUPAC name of Betamethasone (CID 9782) is (8S,9R,10S,11S,13S,14S,16S,17R)-9-fluoro-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one.

What is the SMILES notation for Betamethasone?

The canonical SMILES for Betamethasone is C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CO.

What is the InChIKey of Betamethasone?

The InChIKey is UREBDLICKHMUKA-DVTGEIKXSA-N. The full InChI is InChI=1S/C22H29FO5/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.

What are the key properties of Betamethasone?

Betamethasone has a molecular weight of 392.47 g/mol, XLogP of 1.90, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for Betamethasone is sourced from PubChem (CID 9782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Browse: Molecules: B · all molecules A–Z · drugs A–Z · protein targets A–Z.

Sources

PubChem CID 9782 — identifiers, structure, computed properties (public domain)
DrugCentral drug card 348 — approved-drug record (CC BY-SA 4.0)

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