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Substance Name: 7-Pet hydrochloride
RN: 16206-52-3
UNII: Y9K9O81N7R
InChIKey: AOQZYTXSOFIYDV-ZRYJIWFNSA-N

Molecular Formula

  • C31-H37-N-O4.Cl-H

Molecular Weight

  • 524.0972
 
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Names and Synonyms

Name of Substance

  • 7-Pet hydrochloride

Synonyms

  • 6,14-endo-Ethenotetrahydrothebaine, 7alpha-(1-hydroxy-1-methyl-3-phenylpropyl)-, hydrochloride
  • 6,14-Ethenomorphinan-7-methanol, 4,5-epoxy-3,6-dimethoxy-alpha,17-dimethyl-alpha-(2-phenylethyl)-, hydrochloride, (5alpha,7alpha(R))-
  • 7-Pet hydrochloride
  • UNII-Y9K9O81N7R

Registry Numbers

CAS Registry Number

  • 16206-52-3

FDA UNII

  • Y9K9O81N7R

System Generated Number

  • 0016206523

Structure Descriptors

InChI

1S/C31H37NO4.ClH/c1-28(33,13-12-20-8-6-5-7-9-20)23-19-29-14-15-31(23,35-4)27-30(29)16-17-32(2)24(29)18-21-10-11-22(34-3)26(36-27)25(21)30;/h5-11,14-15,23-24,27,33H,12-13,16-19H2,1-4H3;1H/t23-,24-,27-,28-,29-,30+,31-;/m1./s1

InChIKey

AOQZYTXSOFIYDV-ZRYJIWFNSA-N

Smiles

Cl.COc1ccc2C[C@H]3N(C)CC[C@@]45[C@@H](Oc1c24)[C@@]6(OC)C=C[C@@]35C[C@@H]6[C@](C)(O)CCc7ccccc7