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Substance Name: Acetaminophen mixture with codeine and doxylamine
RN: 100216-57-7
InChIKey: UIEXGALYZIJPJA-IDOSJLLWSA-N

Note

  • Used as an analgesic in temporomandibular joint pain dysfunction syndrome.

Molecular Formula

  • C18-H21-N-O3.C17-H22-N2-O.C8-H9-N-O2.C4-H6-O4.H3-O4-P

Molecular Weight

  • 936.987
 
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Names and Synonyms

Results Name

  • Acetaminophen mixture with codeine and doxylamine

Name of Substance

  • Mersyndol

Systematic Name

  • Morphinan-6-ol, 7,8-didehydro-4,5-epoxy-3-methoxy-17-methyl-, (5alpha,6alpha)-, phosphate (1:1) (salt), mixt. with N,N-dimethyl-2-(1-phenyl-1-(2-pyridinyl)ethoxy)ethanamine butanedioate (1:1) and N-(4-hydroxyphenyl)acetamide

Registry Numbers

CAS Registry Number

  • 100216-57-7

System Generated Number

  • 0100216577

Molecular Formulas

Molecular Formula

  • C18-H21-N-O3.C17-H22-N2-O.C8-H9-N-O2.C4-H6-O4.H3-O4-P

Molecular Formula Fragments

  • C17-H22-N2-O
  • C18-H21-N-O3
  • C4-H6-O4
  • C8-H9-N-O2
  • COMPONENT
  • H3-O4-P

Structure Descriptors

InChI

1S/C18H21NO3.C17H22N2O.C8H9NO2.C4H6O4.H3O4P/c1-19-8-7-18-11-4-5-13(20)17(18)22-16-14(21-2)6-3-10(15(16)18)9-12(11)19;1-17(20-14-13-19(2)3,15-9-5-4-6-10-15)16-11-7-8-12-18-16;1-6(10)9-7-2-4-8(11)5-3-7;5-3(6)1-2-4(7)8;1-5(2,3)4/h3-6,11-13,17,20H,7-9H2,1-2H3;4-12H,13-14H2,1-3H3;2-5,11H,1H3,(H,9,10);1-2H2,(H,5,6)(H,7,8);(H3,1,2,3,4)/t11-,12+,13-,17-,18-;;;;/m0..../s1

InChIKey

UIEXGALYZIJPJA-IDOSJLLWSA-N

Smiles

c1cc(NC(C)=O)ccc1O.c1cnc(cc1)[C@@](c1ccccc1)(OCCN(C)C)C.OC(CCC(O)=O)=O.P(O)(=O)(O)O.c1cc(c2c3c1C[C@@H]1[C@H]4[C@@]3([C@@H]([C@H](C=C4)O)O2)CC[N@@]1C)OC