Freedox

Base Information

• Chemical Name: Freedox
• CAS No.: 149042-61-5
• Molecular Formula: C38 H52 N6 O2
• Molecular Weight: 720.9641
• UNII: HXS259UWKW
• Wikidata: Q27280150
• NCI Thesaurus Code: C152659
• Mol file: 149042-61-5.mol

Synonyms:21-(4-(2,6-di-1-pyrrolidinyl-4-pyrimidinyl)-1-piperazinyl)-16-methylpregna-1,4,9(11)-triene-3,20-dione monomethane sulfonate;Freedox;pregna-1,4,9(11)-triene-3,20-dione, 21-(4-(2,6-di-1-pyrrolidinyl-4-pyrimidinyl)-1-piperazinyl)-16-methyl-, (16alpha)-, monomethanesulfonate;tirilazad;tirilazad mesylate;tirilazad mesylate hydrate;U 74006F;U-74006;U-74006F;U74006F

Chemical Property of Freedox

Chemical Property:

• Boiling Point: 812.9°Cat760mmHg
• Flash Point: 445.4°C
• Density: g/cm³
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 12
• Rotatable Bond Count: 6
• Exact Mass: 738.41385476
• Heavy Atom Count: 52
• Complexity: 1380

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1CC2C3CCC4=CC(=O)C=CC4(C3=CCC2(C1C(=O)CN5CCN(CC5)C6=NC(=NC(=C6)N7CCCC7)N8CCCC8)C)C.CS(=O)(=O)O.O
• Isomeric SMILES: C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@@]4(C3=CC[C@@]2([C@H]1C(=O)CN5CCN(CC5)C6=NC(=NC(=C6)N7CCCC7)N8CCCC8)C)C.CS(=O)(=O)O.O