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Details

Stereochemistry RACEMIC
Molecular Formula C17H21NO2
Molecular Weight 277.3785
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Nisoxetine H-3

SMILES

[3H]C([3H])([3H])NCCC(OC1=C(OC)C=CC=C1)C2=CC=CC=C2

InChI

InChIKey=ITJNARMNRKSWTA-RLXJOQACSA-N
InChI=1S/C17H21NO2/c1-18-13-12-15(14-8-4-3-5-9-14)20-17-11-7-6-10-16(17)19-2/h3-11,15,18H,12-13H2,1-2H3/i1T3

HIDE SMILES / InChI

Molecular Formula C17H21NO2
Molecular Weight 277.3785
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 20:17:57 UTC 2023
Edited
by admin
on Sat Dec 16 20:17:57 UTC 2023
Record UNII
3RHE5Z6TXP
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Nisoxetine H-3
Common Name English
[3H]Nisoxetine
Common Name English
Code System Code Type Description
CAS
2649530-08-3
Created by admin on Sat Dec 16 20:17:57 UTC 2023 , Edited by admin on Sat Dec 16 20:17:57 UTC 2023
PRIMARY
PUBCHEM
53323310
Created by admin on Sat Dec 16 20:17:57 UTC 2023 , Edited by admin on Sat Dec 16 20:17:57 UTC 2023
PRIMARY
FDA UNII
3RHE5Z6TXP
Created by admin on Sat Dec 16 20:17:57 UTC 2023 , Edited by admin on Sat Dec 16 20:17:57 UTC 2023
PRIMARY
Related Record Type Details
TARGET->RADIOLIGAND
Kd
NON-LABELED -> LABELED