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Details

Stereochemistry ABSOLUTE
Molecular Formula C19H22N2S
Molecular Weight 310.456
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of NBI-75043

SMILES

C[C@H](C1=C(CCN(C)C)SC2=CC=CC=C12)C3=CC=CC=N3

InChI

InChIKey=NANQRVOKMXDMNL-AWEZNQCLSA-N
InChI=1S/C19H22N2S/c1-14(16-9-6-7-12-20-16)19-15-8-4-5-10-17(15)22-18(19)11-13-21(2)3/h4-10,12,14H,11,13H2,1-3H3/t14-/m0/s1

HIDE SMILES / InChI

Molecular Formula C19H22N2S
Molecular Weight 310.456
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Fri Dec 15 16:15:44 UTC 2023
Edited
by admin
on Fri Dec 15 16:15:44 UTC 2023
Record UNII
EJG9C09D7R
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
NBI-75043
Code English
N,N-DIMETHYL-2-(3-((1R)-1-PYRIDIN-2-YLETHYL)-1-BENZOTHIEN-2-YL)ETHANAMINE
Systematic Name English
BENZO(B)THIOPHENE-2-ETHANAMINE, N,N-DIMETHYL-3-((1R)-1-(2-PYRIDINYL)ETHYL)-
Systematic Name English
NBI-1 (NON-LABELED)
Common Name English
Code System Code Type Description
EPA CompTox
DTXSID10468930
Created by admin on Fri Dec 15 16:15:44 UTC 2023 , Edited by admin on Fri Dec 15 16:15:44 UTC 2023
PRIMARY
PUBCHEM
11580427
Created by admin on Fri Dec 15 16:15:44 UTC 2023 , Edited by admin on Fri Dec 15 16:15:44 UTC 2023
PRIMARY
CAS
873693-47-1
Created by admin on Fri Dec 15 16:15:44 UTC 2023 , Edited by admin on Fri Dec 15 16:15:44 UTC 2023
PRIMARY
FDA UNII
EJG9C09D7R
Created by admin on Fri Dec 15 16:15:44 UTC 2023 , Edited by admin on Fri Dec 15 16:15:44 UTC 2023
PRIMARY
Related Record Type Details
TARGET -> INHIBITOR
LABELED -> NON-LABELED
Related Record Type Details
ACTIVE MOIETY