Acecobarb
[CAS# 52453-04-0]

Identification

• Name: Acecobarb
• Synonyms: Acecobarb; Dolviran; Morphinan-6-Ol, 7,8-Didehydro-4,5-Epoxy-3-Methoxy-17-Methyl-, (5-Alpha,6-Alpha)-, Phosphate(1:1) (Salt), Mixt. With 2-(Acetyloxy)Benzoic Acid, 3,7-Dihydro-1,3,7-Trimethyl-1H-Purine-2,6-Dione, N-(4-Ethoxyphenyl)Acetamide And 5-Ethyl-5-Phenyl-2,4,6(1H,3H,5H)-Pyrimidinetrione
• Molecular Formula: C₅₇H₆₇N₈O₁₈P
• Molecular Weight: 1183.17
• CAS Registry Number: 52453-04-0
• SMILES: N2(C1=C([N](C=N1)C)C(=O)N(C2=O)C)C.N3C(=O)C(C(=O)NC3=O)(C4=CC=CC=C4)CC.N(C5=CC=C(OCC)C=C5)C(=O)C.[C@]689[C@H]%10OC7=C(OC)C=CC(=C67)C[C@@H](N(CC8)C)[C@@H]9C=C[C@@H]%10O.O=[P](O)(O)O.O=C(O)C%11=CC=CC=C%11OC(=O)C
• InChI: 1S/C18H21NO3.C12H12N2O3.C10H13NO2.C9H8O4.C8H10N4O2.H3O4P/c1-19-8-7-18-11-4-5-13(20)17(18)22-16-14(21-2)6-3-10(15(16)18)9-12(11)19;1-2-12(8-6-4-3-5-7-8)9(15)13-11(17)14-10(12)16;1-3-13-10-6-4-9(5-7-10)11-8(2)12;1-6(10)13-8-5-3-2-4-7(8)9(11)12;1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2;1-5(2,3)4/h3-6,11-13,17,20H,7-9H2,1-2H3;3-7H,2H2,1H3,(H2,13,14,15,16,17);4-7H,3H2,1-2H3,(H,11,12);2-5H,1H3,(H,11,12);4H,1-3H3;(H3,1,2,3,4)/t11-,12+,13-,17-,18-;;;;;/m0...../s1
• InChIKey: SGHTWHQDAWEBOD-YYWUANBLSA-N

Properties

• Boiling point: 462°C at 760 mmHg (Cal.)
• Flash point: 233.2°C (Cal.)