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Details

Stereochemistry ABSOLUTE
Molecular Formula C19H21NS
Molecular Weight 294.442
Optical Activity ( + )
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of MCN-5652 C-11, (+)-

SMILES

[H][C@]12CCCN1C[C@@H](C3=CC=C(S[11CH3])C=C3)C4=CC=CC=C24

InChI

InChIKey=YVKDUIAAPBKHMJ-AANZQFEOSA-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/i1-1

HIDE SMILES / InChI

Molecular Formula C19H21NS
Molecular Weight 294.442
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 Fri Dec 15 15:41:37 UTC 2023
Edited
by admin
on Fri Dec 15 15:41:37 UTC 2023
Record UNII
05D739272C
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
MCN-5652 C-11, (+)-
Code English
PYRROLO(2,1-A)ISOQUINOLINE, 1,2,3,5,6,10B-HEXAHYDRO-6-(4-(METHYL-11C-THIO)PHENYL)-, (6S,10BR)-
Systematic Name English
MCN-5652, (11C)-(+)-
Code English
(11C)-(+)-MCN-5652
Code English
(6S,10BR)-1,2,3,5,6,10B-HEXAHYDRO-6-(4-(METHYL-11C-THIO)PHENYL)PYRROLO(2,1-A)ISOQUINOLINE
Common Name English
Code System Code Type Description
CAS
151121-37-8
Created by admin on Fri Dec 15 15:41:37 UTC 2023 , Edited by admin on Fri Dec 15 15:41:37 UTC 2023
PRIMARY
FDA UNII
05D739272C
Created by admin on Fri Dec 15 15:41:37 UTC 2023 , Edited by admin on Fri Dec 15 15:41:37 UTC 2023
PRIMARY
PUBCHEM
449842
Created by admin on Fri Dec 15 15:41:37 UTC 2023 , Edited by admin on Fri Dec 15 15:41:37 UTC 2023
PRIMARY
Related Record Type Details
ENANTIOMER -> ENANTIOMER
NON-LABELED -> LABELED