Intrarosa

C₁₉H₂₈O₂ — CID 5881

About Intrarosa

Intrarosa (PubChem CID 5881) has the molecular formula C₁₉H₂₈O₂ and a molecular weight of 288.43 g/mol. Its IUPAC name is (3S,8R,9S,10R,13S,14S)-3-hydroxy-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-one.

Molecular Properties

• Compound Name: Intrarosa
• PubChem CID: 5881
• Molecular Formula: C₁₉H₂₈O₂
• Molecular Weight: 288.43 g/mol
• Exact Mass: 288.21
• IUPAC Name: (3S,8R,9S,10R,13S,14S)-3-hydroxy-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-one
• SMILES: C[C@]12CC[C@H](O)CC1=CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12
• InChI: InChI=1S/C19H28O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h3,13-16,20H,4-11H2,1-2H3/t13-,14-,15-,16-,18-,19-/m0/s1
• InChIKey: FMGSKLZLMKYGDP-USOAJAOKSA-N
• XLogP: 3.88
• TPSA: 37.30 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	288.43
LogP ≤ 5	3.88
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of Intrarosa?

The IUPAC name of Intrarosa (CID 5881) is (3S,8R,9S,10R,13S,14S)-3-hydroxy-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-one.

What is the SMILES notation for Intrarosa?

The canonical SMILES for Intrarosa is C[C@]12CC[C@H](O)CC1=CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12.

What is the InChIKey of Intrarosa?

The InChIKey is FMGSKLZLMKYGDP-USOAJAOKSA-N. The full InChI is InChI=1S/C19H28O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h3,13-16,20H,4-11H2,1-2H3/t13-,14-,15-,16-,18-,19-/m0/s1.

What are the key properties of Intrarosa?

Intrarosa has a molecular weight of 288.43 g/mol, XLogP of 3.88, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for Intrarosa is sourced from PubChem (CID 5881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 5881 — identifiers, structure, computed properties (public domain)
• DrugCentral drug card 795 — approved-drug record (CC BY-SA 4.0)

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