Nitrazepam sodium

C15H11N3NaO3 — CID 176507617

IUPAC—
SMILESO=C1CN=C(c2ccccc2)c2cc([N+](=O)[O-])ccc2N1.[Na]
InChIInChI=1S/C15H11N3O3.Na/c19-14-9-16-15(10-4-2-1-3-5-10)12-8-11(18(20)21)6-7-13(12)17-14;/h1-8H,9H2,(H,17,19);
InChIKeyVMGKGSUVFPYBEB-UHFFFAOYSA-N
MW304.26 g/mol
LogP2.00
Rot. Bonds2

About Nitrazepam sodium

Nitrazepam sodium (PubChem CID 176507617) has the molecular formula C15H11N3NaO3 and a molecular weight of 304.26 g/mol.

Molecular Properties

Compound NameNitrazepam sodium
PubChem CID176507617
Molecular FormulaC15H11N3NaO3
Molecular Weight304.26 g/mol
Exact Mass304.07
IUPAC Name—
SMILESO=C1CN=C(c2ccccc2)c2cc([N+](=O)[O-])ccc2N1.[Na]
InChIInChI=1S/C15H11N3O3.Na/c19-14-9-16-15(10-4-2-1-3-5-10)12-8-11(18(20)21)6-7-13(12)17-14;/h1-8H,9H2,(H,17,19);
InChIKeyVMGKGSUVFPYBEB-UHFFFAOYSA-N
XLogP2.00
TPSA84.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.26
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of Nitrazepam sodium?
The IUPAC name of Nitrazepam sodium (CID 176507617) is not available.
What is the SMILES notation for Nitrazepam sodium?
The canonical SMILES for Nitrazepam sodium is O=C1CN=C(c2ccccc2)c2cc([N+](=O)[O-])ccc2N1.[Na].
What is the InChIKey of Nitrazepam sodium?
The InChIKey is VMGKGSUVFPYBEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N3O3.Na/c19-14-9-16-15(10-4-2-1-3-5-10)12-8-11(18(20)21)6-7-13(12)17-14;/h1-8H,9H2,(H,17,19);.
What are the key properties of Nitrazepam sodium?
Nitrazepam sodium has a molecular weight of 304.26 g/mol, XLogP of 2.00, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for Nitrazepam sodium is sourced from PubChem (CID 176507617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).