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Substance Name: Pergolide sulfoxide
RN: 72822-01-6
InChIKey: WOIHSNDTPKFAJW-ASVPFLOSSA-N

Note

  • Pergolide microbial metabolite.

Molecular Weight

  • 330.493
 
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Names and Synonyms

Name of Substance

  • Pergolide sulfoxide

Systematic Name

  • Ergoline, 8-((methylsulfinyl)methyl)-6-propyl-, (8beta)-

Registry Numbers

CAS Registry Number

  • 72822-01-6

System Generated Number

  • 0072822016

Structure Descriptors

InChI

1S/C19H26N2OS/c1-3-7-21-11-13(12-23(2)22)8-16-15-5-4-6-17-19(15)14(10-20-17)9-18(16)21/h4-6,10,13,16,18,20H,3,7-9,11-12H2,1-2H3/t13-,16?,18-,23?/m1/s1

InChIKey

WOIHSNDTPKFAJW-ASVPFLOSSA-N

Smiles

[nH]1cc2C[C@H]3[N@@](C[C@@H](C[C@@H]3c3cccc1c23)C[S@@](=O)C)CCC