Zeranol

C₁₈H₂₆O₅ — CID 2999413

About Zeranol

Zeranol (PubChem CID 2999413) has the molecular formula C₁₈H₂₆O₅ and a molecular weight of 322.40 g/mol. Its IUPAC name is (4S,8R)-8,16,18-trihydroxy-4-methyl-3-oxabicyclo[12.4.0]octadeca-1(14),15,17-trien-2-one.

Molecular Properties

• Compound Name: Zeranol
• PubChem CID: 2999413
• Molecular Formula: C₁₈H₂₆O₅
• Molecular Weight: 322.40 g/mol
• Exact Mass: 322.18
• IUPAC Name: (4S,8R)-8,16,18-trihydroxy-4-methyl-3-oxabicyclo[12.4.0]octadeca-1(14),15,17-trien-2-one
• SMILES: C[C@H]1CCC[C@H](O)CCCCCc2cc(O)cc(O)c2C(=O)O1
• InChI: InChI=1S/C18H26O5/c1-12-6-5-9-14(19)8-4-2-3-7-13-10-15(20)11-16(21)17(13)18(22)23-12/h10-12,14,19-21H,2-9H2,1H3/t12-,14+/m0/s1
• InChIKey: DWTTZBARDOXEAM-GXTWGEPZSA-N
• XLogP: 3.29
• TPSA: 86.99 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	322.40
LogP ≤ 5	3.29
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of Zeranol?

The IUPAC name of Zeranol (CID 2999413) is (4S,8R)-8,16,18-trihydroxy-4-methyl-3-oxabicyclo[12.4.0]octadeca-1(14),15,17-trien-2-one.

What is the SMILES notation for Zeranol?

The canonical SMILES for Zeranol is C[C@H]1CCC[C@H](O)CCCCCc2cc(O)cc(O)c2C(=O)O1.

What is the InChIKey of Zeranol?

The InChIKey is DWTTZBARDOXEAM-GXTWGEPZSA-N. The full InChI is InChI=1S/C18H26O5/c1-12-6-5-9-14(19)8-4-2-3-7-13-10-15(20)11-16(21)17(13)18(22)23-12/h10-12,14,19-21H,2-9H2,1H3/t12-,14+/m0/s1.

What are the key properties of Zeranol?

Zeranol has a molecular weight of 322.40 g/mol, XLogP of 3.29, 0 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for Zeranol is sourced from PubChem (CID 2999413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 2999413 — identifiers, structure, computed properties (public domain)
• DrugCentral drug card 2860 — approved-drug record (CC BY-SA 4.0)

How this page is built: methodology · editorial policy & corrections.