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Substance Name: Papaveretum-hyoscine
RN: 127060-78-0
InChIKey: SOTKRCMQWVSLJZ-AXBGDTCHSA-N

Molecular Formula

  • C17-H19-N-O3.C20-H21-N-O4.C18-H21-N-O3.C17-H21-N-O4.C10-H14-N2

Molecular Weight

  • 1389.6884
 
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Names and Synonyms

Name of Substance

  • Papaveretum-hyoscine

Synonym

  • Omnopon-scopolamine

Systematic Name

  • Morphinan-3,6-diol, 7,8-didehydro-4,5-epoxy-17-methyl-, (5alpha,6alpha,14alpha)-, mixt. with (5alpha,6alpha,14alpha)-7,8-didehydro-4,5-epoxy-3-methoxy-17-methylmorphinan-6-ol, 1-((3,4-dimethoxyphenyl)methyl)-6,7-dimethoxyisoquinoline, (7(S)-(1alpha,2beta,4beta,5alpha,7beta))-9-methyl-3-oxa-9-azatricyclo(3.3.1.0(2,4))non-7-yl alpha-(hydroxymethyl) benzene acetate and (S)-3-(1-methyl-2-pyrrolidinyl)pyridine

Registry Numbers

CAS Registry Number

  • 127060-78-0

System Generated Number

  • 0127060780

Molecular Formulas

Molecular Formula

  • C17-H19-N-O3.C20-H21-N-O4.C18-H21-N-O3.C17-H21-N-O4.C10-H14-N2

Molecular Formula Fragments

  • C10-H14-N2
  • C17-H19-N-O3
  • C17-H21-N-O4
  • C18-H21-N-O3
  • C20-H21-N-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C20H21NO4.C18H21NO3.C17H21NO4.C17H19NO3.C10H14N2/c1-22-17-6-5-13(10-18(17)23-2)9-16-15-12-20(25-4)19(24-3)11-14(15)7-8-21-16;1-19-8-7-18-11-4-5-13(20)17(18)22-16-14(21-2)6-3-10(15(16)18)9-12(11)19;1-18-13-7-11(8-14(18)16-15(13)22-16)21-17(20)12(9-19)10-5-3-2-4-6-10;1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18;1-12-7-3-5-10(12)9-4-2-6-11-8-9/h5-8,10-12H,9H2,1-4H3;3-6,11-13,17,20H,7-9H2,1-2H3;2-6,11-16,19H,7-9H2,1H3;2-5,10-11,13,16,19-20H,6-8H2,1H3;2,4,6,8,10H,3,5,7H2,1H3/t;11-,12+,13-,17-,18-;11-,12-,13+,14-,15-,16+;10-,11+,13-,16-,17-;10-/m.0100/s1

InChIKey

SOTKRCMQWVSLJZ-AXBGDTCHSA-N

Smiles

COc1ccc(Cc2nccc3cc(OC)c(OC)cc23)cc1OC.COc4ccc5C[C@@H]6[C@@H]7C=C[C@H](O)[C@@H]8Oc4c5[C@]78CCN6C.CN9CC[C@]%10%11[C@H]%12Oc%13c(O)ccc(C[C@@H]9[C@@H]%10C=C[C@@H]%12O)c%11%13.CN%14CCC[C@H]%14c%15cccnc%15.CN%16[C@H]%17CC(C[C@@H]%16[C@@H]%18O[C@H]%17%18)OC(=O)[C@H](CO)c%19ccccc%19