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Substance Name: Caffeine mixture with camylofin, ergotamine, mecloxamine and propyphenazone
RN: 76847-51-3
InChIKey: RFCPQJGCHJIVAV-XFHRMNSVSA-L

Note

  • Therapeutic drug for migraine; contains ergotamine, mecloxamine, camylofine, aminopyrine & caffeine.

Molecular Weight

  • 2640.27
 
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Names and Synonyms

Results Name

  • Caffeine mixture with camylofin, ergotamine, mecloxamine and propyphenazone

Name of Substance

  • Avamigran

Systematic Name

  • Ergotaman-3',6',18-trione, 12'-hydroxy-2'-methyl-5'-(phenylmethyl)-, (5'alpha)-, (R-(R*,R*))-2,3-dihydroxybutanedioate (2:1) (salt), mixt. with 2-(1-(4-chlorophenyl)-1-phenylethoxy)-N,N-dimethyl-1-propanamine 2-hydroxy-1,2,3-propanetricarboxylate (1:1), 4-(dimethylamino)-1,2-dihydro-1,5-dimethyl-2-phenyl-3H-pyrazol-3-one, 3,7-dihydro-1,3,7-trimethyl-1H-purine-2,6-dione and 3-methylbutyl alpha-((2-(diethylamino)ethyl)amino)benzeneacetate dihydrochloride

Registry Numbers

CAS Registry Number

  • 76847-51-3

System Generated Number

  • 0076847513

Structure Descriptors

InChI

1S/2C33H35N5O5.C19H24ClNO.C19H32N2O2.C13H17N3O.C8H10N4O2.C6H8O7.C4H6O6.2ClH/c2*1-32(35-29(39)21-15-23-22-10-6-11-24-28(22)20(17-34-24)16-25(23)36(2)18-21)31(41)38-26(14-19-8-4-3-5-9-19)30(40)37-13-7-12-27(37)33(38,42)43-32;1-15(14-21(3)4)22-19(2,16-8-6-5-7-9-16)17-10-12-18(20)13-11-17;1-5-21(6-2)14-13-20-18(17-10-8-7-9-11-17)19(22)23-15-12-16(3)4;1-10-12(14(2)3)13(17)16(15(10)4)11-8-6-5-7-9-11;1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2;7-3(8)1-6(13,5(11)12)2-4(9)10;5-1(3(7)8)2(6)4(9)10;;/h2*3-6,8-11,15,17,21,25-27,34,42H,7,12-14,16,18H2,1-2H3,(H,35,39);5-13,15H,14H2,1-4H3;7-11,16,18,20H,5-6,12-15H2,1-4H3;5-9H,1-4H3;4H,1-3H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);1-2,5-6H,(H,7,8)(H,9,10);2*1H/p-2/t2*21-,25-,26+,27+,32-,33+;;;;;;1-,2-;;/m11.....1../s1

InChIKey

RFCPQJGCHJIVAV-XFHRMNSVSA-L

Smiles

C=1[C@H](C[N@@]([C@@H]2Cc3c4c(cccc4C12)[nH]c3)C)C(N[C@]1(C(N2[C@H](C(N3CCC[C@@H]3[C@@]2(O1)O)=O)Cc1ccccc1)=O)C)=O.C([C@@H]([C@H](C(=O)[O-])O)O)(=O)[O-].C([C@@H](C)O[C@@](C)(c1ccccc1)c1ccc(cc1)Cl)N(C)C.C(C(C(O)=O)(O)CC(=O)O)C(=O)O.c1(ccccc1)[C@@H](C(=O)OCCC(C)C)NCCN(CC)CC.Cl.Cl.n1(cnc2n(c(n(c(c12)=O)C)=O)C)C.n1(n(c(c(c1C)N(C)C)=O)c1ccccc1)C.C1=C2c3cccc4[nH]cc(c34)C[C@H]2[N@@](C)C[C@@H]1C(=O)N[C@@]1(O[C@@]2([C@@H]3CCCN3C(=O)[C@@H](Cc3ccccc3)N2C1=O)O)C