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Substance Name: Choline, dehydrocholic acid, magnesium orotate, orotic acid, Vitamin B12 drug combination
RN: 77648-60-3
InChIKey: MEODXFMBXRCSKZ-MTYOLOGESA-I

Note

  • Orotic acid present as magnesium salt; for therapy of liver diseases.

Classification Codes

  • Growth Substances
  • Micronutrients
  • Vitamins

Molecular Weight

  • 2351.65
 
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Names and Synonyms

Name of Substance

  • Choline, dehydrocholic acid, magnesium orotate, orotic acid, Vitamin B12 drug combination

Synonyms

  • Choline - dehydrocholic acid - magnesium orotate - orotic acid - Vitamin B12
  • Hepavis
  • Vitamin B12, magnesium orotate, choline, orotic acid, and dehydrocholic acid combination

Systematic Name

  • Vitamin B12, mixt. with (T-4)-bis(1,2,3,6-tetrahydro-2,6-dioxo-4-pyrimidinecarboxylato-N3,O4)magnesium, 2-hydroxy-N,N,N-trimethylethanaminium salt with 1,2,3,6-tetrahydro-2,6-dioxo-4-pyrimidinecarboxylic acid (1:1) and (5beta)-3,7,12-trioxocholan-24-oic acid

Registry Numbers

CAS Registry Number

  • 77648-60-3

System Generated Number

  • 0077648603

Structure Descriptors

InChI

1S/C62H90N13O14P.C24H34O5.3C5H4N2O4.C5H14NO.CN.Co.Mg/c1-29-20-39-40(21-30(29)2)75(28-70-39)57-52(84)53(41(27-76)87-57)89-90(85,86)88-31(3)26-69-49(83)18-19-59(8)37(22-46(66)80)56-62(11)61(10,25-48(68)82)36(14-17-45(65)79)51(74-62)33(5)55-60(9,24-47(67)81)34(12-15-43(63)77)38(71-55)23-42-58(6,7)35(13-16-44(64)78)50(72-42)32(4)54(59)73-56;1-13(4-7-21(28)29)16-5-6-17-22-18(12-20(27)24(16,17)3)23(2)9-8-15(25)10-14(23)11-19(22)26;3*8-3-1-2(4(9)10)6-5(11)7-3;1-6(2,3)4-5-7;1-2;;/h20-21,23,28,31,34-37,41,52-53,56-57,76,84H,12-19,22,24-27H2,1-11H3,(H15,63,64,65,66,67,68,69,71,72,73,74,77,78,79,80,81,82,83,85,86);13-14,16-18,22H,4-12H2,1-3H3,(H,28,29);3*1H,(H,9,10)(H2,6,7,8,11);7H,4-5H2,1-3H3;;;/q;;;;;+1;-1;+3;+2/p-5/t;13-,14+,16-,17+,18+,22+,23+,24-;;;;;;;/m.1......./s1

InChIKey

MEODXFMBXRCSKZ-MTYOLOGESA-I

Smiles

[N+](CCO)(C)(C)C.C1(=O)CC[C@]2(C)[C@H]3CC(=O)[C@@]4([C@H](CC[C@@H]4[C@@H]3C(=O)C[C@H]2C1)[C@@H](CCC(=O)O)C)C.[nH]1c(cc([nH]c1=O)C([O-])=O)=O.[nH]1c(cc([nH]c1=O)C([O-])=O)=O.[Mg+2].[C-]#N.[Co+3].C(C(N)=O)C[C@@H]1[C@@](CC(N)=O)([C@@]2(N=C1C(=C1[C@@]([C@@H](C(=N1)C=C1N=C(C(=C3[C@@](CCC(NC[C@@H](OP(O[C@@H]4[C@@H]([C@@H](O[C@@H]4CO)n4cnc5c4cc(c(c5)C)C)O)([O-])=O)C)=O)([C@@H](CC(N)=O)[C@@H]2[N-]3)C)C)[C@@H](C1(C)C)CCC(=O)N)CCC(N)=O)(CC(N)=O)C)C)C)C.[O-]C(=O)c1[nH]c([nH]c(c1)=O)=O