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Substance Name: Setoclavine
RN: 519-12-0
UNII: UE9HT9P885
InChIKey: BGVUWLLRNRBDAY-ZBFHGGJFSA-N

Molecular Formula

  • C16-H18-N2-O

Molecular Weight

  • 254.3312
 
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Names and Synonyms

Name of Substance

  • Setoclavine

Synonyms

  • Setoclavine
  • UNII-UE9HT9P885

Systematic Name

  • Ergolin-8-ol, 9,10-didehydro-6,8-dimethyl-, (8alpha)-

Registry Numbers

CAS Registry Number

  • 519-12-0

FDA UNII

  • UE9HT9P885

System Generated Number

  • 0000519120

Structure Descriptors

InChI

1S/C16H18N2O/c1-16(19)7-12-11-4-3-5-13-15(11)10(8-17-13)6-14(12)18(2)9-16/h3-5,7-8,14,17,19H,6,9H2,1-2H3/t14-,16+/m1/s1

InChIKey

BGVUWLLRNRBDAY-ZBFHGGJFSA-N

Smiles

C[C@]1(CN([C@@H]2Cc3c[nH]c4c3c(ccc4)C2=C1)C)O