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Substance Name: Ersilan
RN: 135556-19-3
InChIKey: RROKCPYVHJKPQG-SPZWACKZSA-N

Note

  • Drug combination consisting of etofylline & dihydroergotoxine; used in the treatment of patients with vascular headache.

Molecular Formula

  • C35-H41-N5-O5.C9-H12-N4-O3

Molecular Weight

  • 835.9577
 
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Names and Synonyms

Name of Substance

  • Ersilan

Systematic Name

  • Ergotaman-3',6',18-trione, 9,10-dihydro-12'-hydroxy-2'-(1-methylethyl)-5'-(phenylmethyl)-, (5'alpha,10alpha)-, mixt. with 3,7-dihydro-7-(2-hydroxyethyl)-1,3-dimethyl-1H-purine-2,6-dione

Registry Numbers

CAS Registry Number

  • 135556-19-3

System Generated Number

  • 0135556193

Molecular Formulas

Molecular Formula

  • C35-H41-N5-O5.C9-H12-N4-O3

Molecular Formula Fragments

  • C35-H41-N5-O5
  • C9-H12-N4-O3
  • COMPONENT

Structure Descriptors

InChI

1S/C35H41N5O5.C9H12N4O3/c1-20(2)34(37-31(41)23-16-25-24-11-7-12-26-30(24)22(18-36-26)17-27(25)38(3)19-23)33(43)40-28(15-21-9-5-4-6-10-21)32(42)39-14-8-13-29(39)35(40,44)45-34;1-11-7-6(8(15)12(2)9(11)16)13(3-4-14)5-10-7/h4-7,9-12,18,20,23,25,27-29,36,44H,8,13-17,19H2,1-3H3,(H,37,41);5,14H,3-4H2,1-2H3/t23-,25-,27-,28+,29+,34-,35+;/m1./s1

InChIKey

RROKCPYVHJKPQG-SPZWACKZSA-N

Smiles

CC(C)[C@@]1(C(=O)N2[C@H](C(=O)N3CCC[C@H]3[C@@]2(O1)O)Cc4ccccc4)NC(=O)[C@@H]5C[C@@H]6c7cccc8c7c(c[nH]8)C[C@H]6N(C5)C.Cn1c2c(c(=O)n(c1=O)C)n(cn2)CCO