Cloprednol

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

C₂₁H₂₅ClO₅ — CID 5284535

💊View drug profile → cloprednol

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPAC(8S,9S,10R,11S,13S,14S,17R)-6-chloro-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-9,11,12,14,15,16-hexahydro-8H-cyclopenta[a]phenanthren-3-one

SMILESC[C@]12C=CC(=O)C=C1C(Cl)=C[C@@H]1[C@@H]2[C@@H](O)C[C@@]2(C)[C@H]1CC[C@]2(O)C(=O)CO

InChIInChI=1S/C21H25ClO5/c1-19-5-3-11(24)7-14(19)15(22)8-12-13-4-6-21(27,17(26)10-23)20(13,2)9-16(25)18(12)19/h3,5,7-8,12-13,16,18,23,25,27H,4,6,9-10H2,1-2H3/t12-,13-,16-,18+,19-,20-,21-/m0/s1

InChIKeyYTJIBEDMAQUYSZ-FDNPDPBUSA-N

MW392.88 g/mol

LogP1.90

Rot. Bonds2

About Cloprednol

Cloprednol (PubChem CID 5284535) has the molecular formula C₂₁H₂₅ClO₅ and a molecular weight of 392.88 g/mol. Its IUPAC name is (8S,9S,10R,11S,13S,14S,17R)-6-chloro-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-9,11,12,14,15,16-hexahydro-8H-cyclopenta[a]phenanthren-3-one.

Molecular Properties

Compound Name	Cloprednol
PubChem CID	5284535
Molecular Formula	C₂₁H₂₅ClO₅
Molecular Weight	392.88 g/mol
Exact Mass	392.14
IUPAC Name	(8S,9S,10R,11S,13S,14S,17R)-6-chloro-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-9,11,12,14,15,16-hexahydro-8H-cyclopenta[a]phenanthren-3-one
SMILES	C[C@]12C=CC(=O)C=C1C(Cl)=C[C@@H]1[C@@H]2[C@@H](O)C[C@@]2(C)[C@H]1CC[C@]2(O)C(=O)CO
InChI	InChI=1S/C21H25ClO5/c1-19-5-3-11(24)7-14(19)15(22)8-12-13-4-6-21(27,17(26)10-23)20(13,2)9-16(25)18(12)19/h3,5,7-8,12-13,16,18,23,25,27H,4,6,9-10H2,1-2H3/t12-,13-,16-,18+,19-,20-,21-/m0/s1
InChIKey	YTJIBEDMAQUYSZ-FDNPDPBUSA-N
XLogP	1.90
TPSA	94.83 Å²
H-Bond Donors	3
H-Bond Acceptors	5
Rotatable Bonds	2
Heavy Atoms	27
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	392.88
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 Cloprednol?

The IUPAC name of Cloprednol (CID 5284535) is (8S,9S,10R,11S,13S,14S,17R)-6-chloro-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-9,11,12,14,15,16-hexahydro-8H-cyclopenta[a]phenanthren-3-one.

What is the SMILES notation for Cloprednol?

The canonical SMILES for Cloprednol is C[C@]12C=CC(=O)C=C1C(Cl)=C[C@@H]1[C@@H]2[C@@H](O)C[C@@]2(C)[C@H]1CC[C@]2(O)C(=O)CO.

What is the InChIKey of Cloprednol?

The InChIKey is YTJIBEDMAQUYSZ-FDNPDPBUSA-N. The full InChI is InChI=1S/C21H25ClO5/c1-19-5-3-11(24)7-14(19)15(22)8-12-13-4-6-21(27,17(26)10-23)20(13,2)9-16(25)18(12)19/h3,5,7-8,12-13,16,18,23,25,27H,4,6,9-10H2,1-2H3/t12-,13-,16-,18+,19-,20-,21-/m0/s1.

What are the key properties of Cloprednol?

Cloprednol has a molecular weight of 392.88 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 Cloprednol is sourced from PubChem (CID 5284535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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

Sources

PubChem CID 5284535 — identifiers, structure, computed properties (public domain)
DrugCentral drug card 709 — approved-drug record (CC BY-SA 4.0)

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