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Details

Stereochemistry ABSOLUTE
Molecular Formula C19H21NS
Molecular Weight 295.442
Optical Activity ( - )
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of MCN-5652, (-)-

SMILES

[H][C@@]12CCCN1C[C@H](C3=CC=C(SC)C=C3)C4=C2C=CC=C4

InChI

InChIKey=YVKDUIAAPBKHMJ-MOPGFXCFSA-N
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

HIDE SMILES / InChI

Molecular Formula C19H21NS
Molecular Weight 295.442
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 11:05:47 UTC 2023
Edited
by admin
on Sat Dec 16 11:05:47 UTC 2023
Record UNII
Y33Z4ABP6N
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
MCN-5652, (-)-
Code English
(-)-MCN 5652-Z
Code English
PYRROLO(2,1-A)ISOQUINOLINE, 1,2,3,5,6,10B-HEXAHYDRO-6-(4-(METHYLTHIO)PHENYL)-, (6R,10BS)-
Systematic Name English
PYRROLO(2,1-A)ISOQUINOLINE, 1,2,3,5,6,10B-HEXAHYDRO-6-(4-(METHYLTHIO)PHENYL)-, (6R-TRANS)-
Common Name English
(6R,10BS)-1,2,3,5,6,10B-HEXAHYDRO-6-(4-(METHYLTHIO)PHENYL)PYRROLO(2,1-A)ISOQUINOLINE
Common Name English
(-)-MCN-5652
Code English
Code System Code Type Description
CAS
103729-13-1
Created by admin on Sat Dec 16 11:05:47 UTC 2023 , Edited by admin on Sat Dec 16 11:05:47 UTC 2023
PRIMARY
PUBCHEM
6336338
Created by admin on Sat Dec 16 11:05:47 UTC 2023 , Edited by admin on Sat Dec 16 11:05:47 UTC 2023
PRIMARY
EPA CompTox
DTXSID001128845
Created by admin on Sat Dec 16 11:05:47 UTC 2023 , Edited by admin on Sat Dec 16 11:05:47 UTC 2023
PRIMARY
FDA UNII
Y33Z4ABP6N
Created by admin on Sat Dec 16 11:05:47 UTC 2023 , Edited by admin on Sat Dec 16 11:05:47 UTC 2023
PRIMARY
Related Record Type Details
ENANTIOMER -> ENANTIOMER
LABELED -> NON-LABELED
RACEMATE -> ENANTIOMER