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Substance Name: Triredisol
RN: 76773-81-4
InChIKey: SSACIBATDRWBKH-UHFFFAOYSA-K

Note

  • Each I.M. injectable of triredisol-H contains vitamin B12 1000 mcg, vitamin B1 100 mg & vitamin B6 50 mg; or vitamin B12 500 mcg, vitamin B1 50 mg, & vitamin B6 25 mg.

Molecular Weight

  • 1825.37
 
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Names and Synonyms

Name of Substance

  • Triredisol

Synonym

  • Triredisol-H

Systematic Name

  • Vitamin B12, mixt. with 3-((4-amino-2-methyl-5-pyrimidinyl)methyl)-5-(2-hydroxyethyl)-4-methylthiazolium chloride and 5-hydroxy-6-methyl-3,4-pyridinedimethanol

Registry Numbers

CAS Registry Number

  • 76773-81-4

System Generated Number

  • 0076773814

Structure Descriptors

InChI

1S/C62H90N13O14P.C12H17N4OS.C8H11NO3.CN.ClH.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;1-8-11(3-4-17)18-7-16(8)6-10-5-14-9(2)15-12(10)13;1-5-8(12)7(4-11)6(3-10)2-9-5;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);5,7,17H,3-4,6H2,1-2H3,(H2,13,14,15);2,10-12H,3-4H2,1H3;;1H;/q;+1;;-1;;+3/p-3

InChIKey

SSACIBATDRWBKH-UHFFFAOYSA-K

Smiles

c1c(c(c(c(n1)C)O)CO)CO.s1c[n+](Cc2c(nc(nc2)C)N)c(c1CCO)C.[ClH-].[Co+3].C(C(N)=O)C[C@@H]1[C@@](CC(N)=O)([C@@]2(N=C1C(=C1[C@@]([C@@H](CCC(N)=O)C(=N1)C=C1N=C(C(=C3[C@@](CCC(NC[C@@H](OP(O[C@@H]4[C@@H](O)[C@@H](n5c6cc(c(cc6nc5)C)C)O[C@@H]4CO)([O-])=O)C)=O)([C@@H](CC(N)=O)[C@@H]2[N-]3)C)C)[C@@H](C1(C)C)CCC(N)=O)(CC(N)=O)C)C)C)C.N#[C-]