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Substance Name: Belladonna alkaloids mixture with ergotamine tartrate and phenobarbital
RN: 57657-51-9
InChIKey: BDGSJEJXSCXBHW-HUUVABQVSA-N

Note

  • Contains ergotamine tartrate, phenobarbital and methysergide; used in prevention of migraine headaches.

Molecular Formula

  • C33-H35-N5-O5.C12-H12-N2-O3.C4-H6-O6.Unspecified

Molecular Weight

  • 1253.3654
 
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Names and Synonyms

Results Name

  • Belladonna alkaloids mixture with ergotamine tartrate and phenobarbital

Name of Substance

  • Belladonna alkaloid, ergotamine, phenobarbital drug combination

Synonyms

  • Belladonna alkaloids mixture with ergotamine and phenobarbital
  • Bellergal
  • Bellergal-S

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 belladona alkaloid hydroxybutanedioate salts and 5-ethyl-5-phenyl-2,4,6(1H,3H,5H)-pyrimidinetrione

Superlist Names

  • Bellergal-S
  • DEA No. 2285

Registry Numbers

CAS Registry Number

  • 57657-51-9

System Generated Number

  • 0057657519

Molecular Formulas

Molecular Formula

  • C33-H35-N5-O5.C12-H12-N2-O3.C4-H6-O6.Unspecified

Molecular Formula Fragments

  • C12-H12-N2-O3
  • C33-H35-N5-O5
  • C4-H6-O6
  • COMPONENT
  • Unspecified

Structure Descriptors

InChI

1S/C33H35N5O5.C17H23NO3.C12H12N2O3.C4H6O6/c1-32(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;1-18-13-7-8-14(18)10-15(9-13)21-17(20)16(11-19)12-5-3-2-4-6-12;1-2-12(8-6-4-3-5-7-8)9(15)13-11(17)14-10(12)16;5-1(3(7)8)2(6)4(9)10/h3-6,8-11,15,17,21,25-27,34,42H,7,12-14,16,18H2,1-2H3,(H,35,39);2-6,13-16,19H,7-11H2,1H3;3-7H,2H2,1H3,(H2,13,14,15,16,17);1-2,5-6H,(H,7,8)(H,9,10)/t21-,25-,26+,27+,32-,33+;;;/m1.../s1

InChIKey

BDGSJEJXSCXBHW-HUUVABQVSA-N

Smiles

c1(ccccc1)C[C@@H]1N2[C@]([C@H]3N(CCC3)C1=O)(O[C@](C2=O)(NC(=O)[C@@H]1C=C2[C@H](N(C1)C)Cc1c3c2cccc3[nH]c1)C)O.OC(=O)C(C(C(=O)O)O)O.C1(CC2N(C(C1)CC2)C)OC(=O)C(c1ccccc1)CO.c1c(cccc1)C1(C(=O)NC(=O)NC1=O)CC