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Substance Name: Germakhellin
RN: 77416-69-4
InChIKey: WOKGFRJKPFZWFR-UHFFFAOYSA-M

Note

  • Contains 3-piperidinomethyl khellin; 7-(beta-hydroxypropyl)theophylline; N-(2'-trimethylammoniumpropyl) phenothiazinemethylsulfate also called thiazinamium methylsulfate; for respiratory tract disease therapy.

Molecular Weight

  • 1007.19
 
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Names and Synonyms

Name of Substance

  • Germakhellin

Systematic Name

  • 10H-Phenothiazine-10-ethanaminium, N,N,N,alpha-tetramethyl-, methyl sulfate, mixt. with 3,7-dihydro-7-(2-hydroxypropyl)-1,3-dimethyl-1H-purine-2,6-dione and 4,9-dimethoxy-7-methyl-3-(1-piperazinylmethyl)-5H-furo(3,2-g)(1)benzopyran-5-one

Registry Numbers

CAS Registry Number

  • 77416-69-4

System Generated Number

  • 0077416694

Structure Descriptors

InChI

1S/C19H22N2O5.C18H23N2S.C10H14N4O3.CH4O4S/c1-11-8-13(22)15-16(23-2)14-12(9-21-6-4-20-5-7-21)10-25-17(14)19(24-3)18(15)26-11;1-14(20(2,3)4)13-19-15-9-5-7-11-17(15)21-18-12-8-6-10-16(18)19;1-6(15)4-14-5-11-8-7(14)9(16)13(3)10(17)12(8)2;1-5-6(2,3)4/h8,10,20H,4-7,9H2,1-3H3;5-12,14H,13H2,1-4H3;5-6,15H,4H2,1-3H3;1H3,(H,2,3,4)/q;+1;;/p-1

InChIKey

WOKGFRJKPFZWFR-UHFFFAOYSA-M

Smiles

c1(C)cc(=O)c2c(o1)c(OC)c1occ(CN3CCNCC3)c1c2OC.n1(cnc2n(c(n(c(c12)=O)C)=O)C)C[C@@H](C)O.c1cccc2Sc3ccccc3N(c12)C[C@@H]([N+](C)(C)C)C.S(=O)(=O)(OC)[O-]