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Details

Stereochemistry ACHIRAL
Molecular Formula C18H22BrNO3
Molecular Weight 379.277
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CIMBI-36_5 C-11

SMILES

COC1=C(CNCCC2=C(OC)C=C(Br)C(O[11CH3])=C2)C=CC=C1

InChI

InChIKey=SUXGNJVVBGJEFB-KTXUZGJCSA-N
InChI=1S/C18H22BrNO3/c1-21-16-7-5-4-6-14(16)12-20-9-8-13-10-18(23-3)15(19)11-17(13)22-2/h4-7,10-11,20H,8-9,12H2,1-3H3/i3-1

HIDE SMILES / InChI

Molecular Formula C18H22BrNO3
Molecular Weight 379.277
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 19:31:53 GMT 2023
Edited
by admin
on Sat Dec 16 19:31:53 GMT 2023
Record UNII
QY8DR95CQG
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CIMBI-36_5 C-11
Code English
Benzeneethanamine, 4-bromo-2-methoxy-5-(methoxy-11C)-N-[(2-methoxyphenyl)methyl]-
Systematic Name English
4-Bromo-2-methoxy-5-(methoxy-11C)-N-[(2-methoxyphenyl)methyl]benzeneethanamine
Systematic Name English
Code System Code Type Description
FDA UNII
QY8DR95CQG
Created by admin on Sat Dec 16 19:31:54 GMT 2023 , Edited by admin on Sat Dec 16 19:31:54 GMT 2023
PRIMARY
PUBCHEM
166177304
Created by admin on Sat Dec 16 19:31:54 GMT 2023 , Edited by admin on Sat Dec 16 19:31:54 GMT 2023
PRIMARY
CAS
1843216-97-6
Created by admin on Sat Dec 16 19:31:54 GMT 2023 , Edited by admin on Sat Dec 16 19:31:54 GMT 2023
PRIMARY
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