McN5652 (Q6802431)

UNII-Y33Z4ABP6N (English)

(6S,10bR)-6-[4-(methylthio)phenyl]-1,2,3,5,6,10b-hexahydropyrrolo[2,1-a]isoquinoline

11 October 2016

stereoisomer of

1 reference

based on heuristic

inferred from InChI

chemical formula

C₁₉H₂₁NS

1 reference

UNII-Y33Z4ABP6N (English)

19 November 2016

canonical SMILES

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

1 reference

UNII-Y33Z4ABP6N (English)

19 November 2016

isomeric SMILES

CSC1=CC=C(C=C1)[C@H]2CN3CCC[C@H]3C4=CC=CC=C24

1 reference

UNII-Y33Z4ABP6N (English)

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

19 November 2016

Identifiers

InChI

1 reference

UNII-Y33Z4ABP6N (English)

19 November 2016

2 references

UNII-Y33Z4ABP6N (English)

Global Substance Registration System

19 November 2016

stated in

ChEBI release 2020-09-01

CAS Registry Number

103729-13-1

2 references

stated in

UNII

Y33Z4ABP6N

(-)-mcn-5652 (English)

19 November 2016

https://commonchemistry.cas.org/detail?cas_rn=103729-13-1

9 April 2021

1 reference

McN5652 (English)

19 November 2016

2 references

UNII-Y33Z4ABP6N (English)

19 November 2016

ChEBI ID

125531

mapping relation type

2 references

(6R,10bS)-6-[4-(methylthio)phenyl]-1,2,3,5,6,10b-hexahydropyrrolo[2,1-a]isoquinoline (English)

11 October 2016

International Chemical Identifier

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

1 reference

CHEMBL361259 (English)

19 November 2016

1 reference

1 reference

Global Substance Registration System

UNII

Y33Z4ABP6N

2 references

stated in

UNII

Y33Z4ABP6N

(-)-mcn-5652 (English)

19 November 2016