Pyrrolo(2,1-a)isoquinoline, 1,2,3,5,6,10b-hexahydro-6-(4-(methylthio)phenyl)-, (6R,10bS)- | CAS No. 96795-89-0

Pyrrolo(2,1-a)isoquinoline, 1,2,3,5,6,10b-hexahydro-6-(4-(methylthio)phenyl)-, (6R,10bS)-

Basic Information

CAS Number

96795-89-0

Molecular Formula

C19H21NS

Molecular Weight

295.45 g/mol

AD

Basic Physical Properties

CSC1=CC=C(C=C1)C2CN3CCCC3C4=CC=CC=C24

InChI

InChI=1S/C19H21NS/c1-21-15-10-8-14(9-11-15)18-13-20-12-4-7-19(20)17-6-3-2-5-16(17)18/h2-3,5-6,8-11,18-19H,4,7,12-13H2,1H3/t18-,19+/m1/s1

InChIKey

YVKDUIAAPBKHMJ-MOPGFXCFSA-N

LogP

4.690900000000004

Topological Polar Surface Area

3.24 Ų

Hydrogen Bond Donor/Acceptor

0 / 1

Complexity

350

Synonyms & References

English

  • ( /-)-MCN 5652
  • (±)-MCN 5652
  • trans-1,2,3,5,6,10b-hexahydro-6-<4-(methylthio)phenyl>pyrrolo<2,1-a>isoquinoline
  • (6R,10bS)-rel-1,2,3,5,6,10b-Hexahydro-6-[4-(Methylthio)phenyl]-pyrrolo[2,1-a]isoquinoline
  • Pyrrolo[2,1-a]isoquinoline, 1,2,3,5,6,10b-hexahydro-6-[4-(methylthio)phenyl]-, trans- (ZCI)
  • rel-(6R,10bS)-1,2,3,5,6,10b-Hexahydro-6-[4-(methylthio)phenyl]pyrrolo[2,1-a]isoquinoline (ACI)
  • McN 5652
  • McN 5652Z
  • trans-McN 5652
  • CHEMBL361259
  • HMS3413G19
  • CHEBI:125531
  • Q6802431
  • PYRROLO(2,1-A)ISOQUINOLINE, 1,2,3,5,6,10B-HEXAHYDRO-6-(4-(METHYLTHIO)PHENYL)-, (6R-TRANS)-
  • (6R,10BS)-1,2,3,5,6,10B-HEXAHYDRO-6-(4-(METHYLTHIO)PHENYL)PYRROLO(2,1-A)ISOQUINOLINE
  • McN 5652, (+/-)
  • Y33Z4ABP6N
  • BRD-K31168993-001-02-8
  • (6R,10BS)-6-[4-(METHYLSULFANYL)PHENYL]-1H,2H,3H,5H,6H,10BH-PYRROLO[2,1-A]ISOQUINOLINE
  • 103729-13-1
  • HMS3677G19
  • McN5652
  • McN-5652-X-68
  • Pyrrolo(2,1-a)isoquinoline, 1,2,3,5,6,10b-hexahydro-6-(4-(methylthio)phenyl)-, (6R,10bS)-
  • ()-McN 5652
  • (-)-MCN 5652-Z
  • SCHEMBL6307737
  • AKOS024456956
  • (6R,10bS)-6-(4-(Methylthio)phenyl)-1,2,3,5,6,10b-hexahydropyrrolo[2,1-a]isoquinoline
  • 96795-89-0
  • (+/-)-MCN 5652

MDL Number

MFCD09753376

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