Ambene

Base Information

• Chemical Name: Ambene
• CAS No.: 84020-72-4
• Molecular Formula: C129H171ClCoFN23O23PS
• Molecular Weight: 2588.3017042
• Mol file: 84020-72-4.mol

Synonyms:Ambene;aminopyrine - dexamethasone - phenylbutazone - thiamine - vitamin B12;aminopyrine, dexamethasone, phenylbutazone, thiamine, vitamin B12 drug combination;Trabit;vitamin B12, dexamethasone, phenylbutazone, aminopyrine, and thiamine combination

Chemical Property of Ambene

Chemical Property:

• Hydrogen Bond Donor Count: 14
• Hydrogen Bond Acceptor Count: 38
• Rotatable Bond Count: 39
• Exact Mass: 2587.141456
• Heavy Atom Count: 180
• Complexity: 4950

Purity/Quality:

AMINOPYRINE MIXTURE WITH DEXAMETHASONE, PHENYLBUTAZONE,VITAMIN B 12 AND THIAMINE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCCCC1C(=O)N(N(C1=O)C2=CC=CC=C2)C3=CC=CC=C3.CC1CC2C3CCC4=CC(=O)C=CC4(C3(C(CC2(C1(C(=O)CO)O)C)O)F)C.CC1=CC2=C(C=C1C)N(C=N2)C3C(C(C(O3)CO)OP(=O)([O-])OC(C)CNC(=O)CCC4(C(C5C6(C(C(C(=N6)C(=C7C(C(C(=N7)C=C8C(C(C(=N8)C(=C4[N-]5)C)CCC(=O)N)(C)C)CCC(=O)N)(C)CC(=O)N)C)CCC(=O)N)(C)CC(=O)N)C)CC(=O)N)C)O.CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N(C)C.CC1=C(SC=[N+]1CC2=CN=C(N=C2N)C)CCO.[C-]#N.[Cl-].[Co+3]
• Isomeric SMILES: CCCCC1C(=O)N(N(C1=O)C2=CC=CC=C2)C3=CC=CC=C3.C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@@]4(C3([C@H](C[C@@]2([C@]1(C(=O)CO)O)C)O)F)C.CC1=CC2=C(C=C1C)N(C=N2)C3C(C(C(O3)CO)OP(=O)([O-])OC(C)CNC(=O)CCC\4(C(C5C6(C(C(C(=N6)/C(=C\7/C(C(C(=N7)/C=C\8/C(C(C(=N8)/C(=C4\[N-]5)/C)CCC(=O)N)(C)C)CCC(=O)N)(C)CC(=O)N)/C)CCC(=O)N)(C)CC(=O)N)C)CC(=O)N)C)O.CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N(C)C.CC1=C(SC=[N+]1CC2=CN=C(N=C2N)C)CCO.[C-]#N.[Cl-].[Co+3]