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Substance Name: Butaphosphan, cyanocobalamin drug combination
RN: 77269-72-8
InChIKey: QFPSOOQOJIGGRE-BXSGNKEGSA-L

Note

  • 10% Butaphosphan+cyanocobalamin: used to prevent or treat deficiencies of vitamin B12 and phosphorus in farm animals in the United States.

Classification Codes

  • Growth Substances
  • Micronutrients

Molecular Formula

  • C63-H88-Co-N14-O14-P.C7-H18-N-O3-P

Molecular Weight

  • 1550.5764
 
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Names and Synonyms

Name of Substance

  • Butaphosphan, cyanocobalamin drug combination

Synonyms

  • Catosal
  • Coforta

Registry Numbers

CAS Registry Number

  • 77269-72-8

System Generated Number

  • 0077269728

Molecular Formulas

Molecular Formula

  • C63-H88-Co-N14-O14-P.C7-H18-N-O3-P

Molecular Formula Fragments

  • C63-H88-Co-N14-O14-P
  • C7-H18-N-O3-P
  • COMPONENT

Structure Descriptors

InChI

1S/C62H90N13O14P.C7H18NO3P.CN.Co/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;1-4-5-6-8-7(2,3)12(9,10)11;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);8H,4-6H2,1-3H3,(H2,9,10,11);;/q;;;+2/p-2/t31-,34-,35-,36-,37+,41-,52-,53-,56-,57+,59-,60+,61+,62+;;;/m1.../s1

InChIKey

QFPSOOQOJIGGRE-BXSGNKEGSA-L

Smiles

CCCCNC(C)(C)P(=O)(O)O.Cc1cc2c(cc1C)n(cn2)[C@@H]3[C@@H]([C@@H]([C@H](O3)CO)OP(=O)([O-])O[C@H](C)CNC(=O)CC[C@@]4([C@H]([C@@H]5[C@]6([C@@]([C@@H](C(=N6)/C(=C\7/[C@@]([C@@H](C(=N7)/C=C\8/C([C@@H](/C(=C(/C4=N5)\C)/[N-]8)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.C(#N)[Co+2]