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Details

Stereochemistry ACHIRAL
Molecular Formula C21H26NO2
Molecular Weight 330.461
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 1

SHOW SMILES / InChI
Structure of 4-DMAP H-3 CATION

SMILES

[3H]C([3H])([3H])[N+]1(C)CCC(CC1)OC(=O)C(C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChIKey=HYJRTXSYDAFGJK-RLXJOQACSA-N
InChI=1S/C21H26NO2/c1-22(2)15-13-19(14-16-22)24-21(23)20(17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-12,19-20H,13-16H2,1-2H3/q+1/i1T3

HIDE SMILES / InChI

Molecular Formula C21H26NO2
Molecular Weight 330.461
Charge 1
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 19:54:23 UTC 2023
Edited
by admin
on Sat Dec 16 19:54:23 UTC 2023
Record UNII
X5ZU8S2UJA
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
4-DMAP H-3 CATION
Common Name English
Code System Code Type Description
FDA UNII
X5ZU8S2UJA
Created by admin on Sat Dec 16 19:54:23 UTC 2023 , Edited by admin on Sat Dec 16 19:54:23 UTC 2023
PRIMARY
Related Record Type Details
IONIC MOIETY
TARGET->RADIOLIGAND
Kd
NON-LABELED -> LABELED