Loprazolam

C₂₃H₂₁ClN₆O₃ — CID 3033860

About Loprazolam

Loprazolam (PubChem CID 3033860) has the molecular formula C₂₃H₂₁ClN₆O₃ and a molecular weight of 464.91 g/mol. Its IUPAC name is (2Z)-6-(2-chlorophenyl)-2-[(4-methylpiperazin-1-yl)methylidene]-8-nitro-4H-imidazo[1,2-a][1,4]benzodiazepin-1-one.

Molecular Properties

• Compound Name: Loprazolam
• PubChem CID: 3033860
• Molecular Formula: C₂₃H₂₁ClN₆O₃
• Molecular Weight: 464.91 g/mol
• Exact Mass: 464.14
• IUPAC Name: (2Z)-6-(2-chlorophenyl)-2-[(4-methylpiperazin-1-yl)methylidene]-8-nitro-4H-imidazo[1,2-a][1,4]benzodiazepin-1-one
• SMILES: CN1CCN(/C=C2\N=C3CN=C(c4ccccc4Cl)c4cc([N+](=O)[O-])ccc4N3C2=O)CC1
• InChI: InChI=1S/C23H21ClN6O3/c1-27-8-10-28(11-9-27)14-19-23(31)29-20-7-6-15(30(32)33)12-17(20)22(25-13-21(29)26-19)16-4-2-3-5-18(16)24/h2-7,12,14H,8-11,13H2,1H3/b19-14-
• InChIKey: UTEFBSAVJNEPTR-RGEXLXHISA-N
• XLogP: 2.93
• TPSA: 94.65 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 3
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	464.91
LogP ≤ 5	2.93
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of Loprazolam?

The IUPAC name of Loprazolam (CID 3033860) is (2Z)-6-(2-chlorophenyl)-2-[(4-methylpiperazin-1-yl)methylidene]-8-nitro-4H-imidazo[1,2-a][1,4]benzodiazepin-1-one.

What is the SMILES notation for Loprazolam?

The canonical SMILES for Loprazolam is CN1CCN(/C=C2\N=C3CN=C(c4ccccc4Cl)c4cc([N+](=O)[O-])ccc4N3C2=O)CC1.

What is the InChIKey of Loprazolam?

The InChIKey is UTEFBSAVJNEPTR-RGEXLXHISA-N. The full InChI is InChI=1S/C23H21ClN6O3/c1-27-8-10-28(11-9-27)14-19-23(31)29-20-7-6-15(30(32)33)12-17(20)22(25-13-21(29)26-19)16-4-2-3-5-18(16)24/h2-7,12,14H,8-11,13H2,1H3/b19-14-.

What are the key properties of Loprazolam?

Loprazolam has a molecular weight of 464.91 g/mol, XLogP of 2.93, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for Loprazolam is sourced from PubChem (CID 3033860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 3033860 — identifiers, structure, computed properties (public domain)
• DrugCentral drug card 1602 — approved-drug record (CC BY-SA 4.0)

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