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Details

Stereochemistry ABSOLUTE
Molecular Formula C19H21FN2S
Molecular Weight 328.4486
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of NBI-4 (NON-LABELED)

SMILES

C[C@@]([H])(c1cccnc1F)c2c3ccccc3sc2CCN(C)C

InChI

InChIKey=KLFVGKSTNOVPOR-ZDUSSCGKSA-N
InChI=1S/C19H21FN2S/c1-13(14-8-6-11-21-19(14)20)18-15-7-4-5-9-16(15)23-17(18)10-12-22(2)3/h4-9,11,13H,10,12H2,1-3H3/t13-/m0/s1

HIDE SMILES / InChI

Molecular Formula C19H21FN2S
Molecular Weight 328.4486
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 Sat Jun 26 09:37:47 UTC 2021
Edited
by admin
on Sat Jun 26 09:37:47 UTC 2021
Record UNII
2U5SUQ9CWU
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
NBI-4 (NON-LABELED)
Code English
BENZO(B)THIOPHENE-2-ETHANAMINE, 3-((1S)-1-(2-FLUORO-3-PYRIDINYL)ETHYL)-N-METHYL-N-(METHYL)-
Systematic Name English
3-((1S)-1-(2-FLUORO-3-PYRIDINYL)ETHYL)-N,N-DIMETHYLBENZO(B)THIOPHENE-2-ETHANAMINE
Systematic Name English
Code System Code Type Description
PUBCHEM
11624051
Created by admin on Sat Jun 26 09:37:47 UTC 2021 , Edited by admin on Sat Jun 26 09:37:47 UTC 2021
PRIMARY
CAS
873693-83-5
Created by admin on Sat Jun 26 09:37:47 UTC 2021 , Edited by admin on Sat Jun 26 09:37:47 UTC 2021
PRIMARY
FDA UNII
2U5SUQ9CWU
Created by admin on Sat Jun 26 09:37:47 UTC 2021 , Edited by admin on Sat Jun 26 09:37:47 UTC 2021
PRIMARY
Related Record Type Details
LABELED -> NON-LABELED
TARGET -> INHIBITOR
Related Record Type Details
ACTIVE MOIETY