U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry RACEMIC
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-RBUKOAKNSA-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+/m0/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 11:05:48 UTC 2023
Edited
by admin
on Sat Dec 16 11:05:48 UTC 2023
Record UNII
21MT8QF2LI
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
MCN-5652
Common Name English
PYRROLO(2,1-A)ISOQUINOLINE, 1,2,3,5,6,10B-HEXAHYDRO-6-(4-(METHYLTHIO)PHENYL)-, (6R,10BS)-REL-
Systematic Name English
REL-(6R,10BS)-1,2,3,5,6,10B-HEXAHYDRO-6-(4-(METHYLTHIO)PHENYL)PYRROLO(2,1-A)ISOQUINOLINE
Common Name English
TRANS-MCN 5652
Code English
MCN-5652, (±)-
Code English
PYRROLO(2,1-A)ISOQUINOLINE, 1,2,3,5,6,10B-HEXAHYDRO-6-(4-(METHYLTHIO)PHENYL)-, TRANS-
Common Name English
MCN-5652Z
Code English
Code System Code Type Description
WIKIPEDIA
McN5652
Created by admin on Sat Dec 16 11:05:48 UTC 2023 , Edited by admin on Sat Dec 16 11:05:48 UTC 2023
PRIMARY
CAS
96795-89-0
Created by admin on Sat Dec 16 11:05:48 UTC 2023 , Edited by admin on Sat Dec 16 11:05:48 UTC 2023
PRIMARY
EPA CompTox
DTXSID901026892
Created by admin on Sat Dec 16 11:05:48 UTC 2023 , Edited by admin on Sat Dec 16 11:05:48 UTC 2023
PRIMARY
PUBCHEM
3036461
Created by admin on Sat Dec 16 11:05:48 UTC 2023 , Edited by admin on Sat Dec 16 11:05:48 UTC 2023
PRIMARY
FDA UNII
21MT8QF2LI
Created by admin on Sat Dec 16 11:05:48 UTC 2023 , Edited by admin on Sat Dec 16 11:05:48 UTC 2023
PRIMARY
Related Record Type Details
ENANTIOMER -> RACEMATE
ENANTIOMER -> RACEMATE