Compound Summary
Compound Information
DANTROLENE SODIUM
Compound Name: | DANTROLENE SODIUM |
Compound CID: | 6604100 |
Synonyms: | DANTROLENE SODIUM |
Iupac Name: | sodium;3-[(E)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]-2-oxo-4H-imidazol-5-olate |
InChI: | InChI=1S/C14H10N4O5.Na/c19-13-8-17(14(20)16-13)15-7-11-5-6-12(23-11)9-1-3-10(4-2-9)18(21)22;/h1-7H,8H2,(H,16,19,20);/q;+1/p-1/b15-7+; |
InChIKey: | KSRLIXGNPXAZHD-HAZZGOGXSA-M |
Canonical Smiles: | C1C(=NC(=O)N1N=CC2=CC=C(O2)C3=CC=C(C=C3)[N+](=O)[O-])[O-].[Na+] |
Isomeric Smiles: | C1C(=NC(=O)N1/N=C/C2=CC=C(O2)C3=CC=C(C=C3)[N+](=O)[O-])[O-].[Na+] |
Molecular Weight: | 336.23 |
Molecular Formula: | C14H9N4NaO5 |
Compound Structure
2D Structure:
3D Structure:
Computed Properties
DANTROLENE SODIUM
Molecular Weight: | 336.23 |
Molecular Formula: | C14H9N4NaO5 |
Hydrogen Bond Donor Count: | 0 |
Hydrogen Bond Acceptor Count: | 6 |
Rotatable Bond Count: | 3 |
Heavy Atom Count: | 24 |
Complexity: | 536 |
Synonyms
DANTROLENE SODIUM
Experimental Data
DANTROLENE SODIUM
Experimental Data Visualization
DANTROLENE SODIUM
Statistics Data
DANTROLENE SODIUM
Statistics Data Visualization
DANTROLENE SODIUM
