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Details

Stereochemistry ACHIRAL
Molecular Formula C19H25N2O2.Br
Molecular Weight 393.318
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of [2-(dimethylcarbamoyloxy)-5-phenylphenyl]methyltrimethylazanium bromide

SMILES

[Br-].CN(C)C(=O)OC1=C(C[N+](C)(C)C)C=C(C=C1)C2=CC=CC=C2

InChI

InChIKey=BKQQATFNHNQNJL-UHFFFAOYSA-M
InChI=1S/C19H25N2O2.BrH/c1-20(2)19(22)23-18-12-11-16(15-9-7-6-8-10-15)13-17(18)14-21(3,4)5;/h6-13H,14H2,1-5H3;1H/q+1;/p-1

HIDE SMILES / InChI

Molecular Formula C19H25N2O2
Molecular Weight 313.414
Charge 1
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula Br
Molecular Weight 79.904
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 12:49:32 GMT 2023
Edited
by admin
on Sat Dec 16 12:49:32 GMT 2023
Record UNII
FKT5WGE47Y
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
[2-(dimethylcarbamoyloxy)-5-phenylphenyl]methyltrimethylazanium bromide
Systematic Name English
[1,1′-Biphenyl]-3-methanaminium, 4-[[(dimethylamino)carbonyl]oxy]-N,N,N-trimethyl-, bromide (1:1)
Systematic Name English
[1,1′-Biphenyl]-3-methanaminium, 4-[[(dimethylamino)carbonyl]oxy]-N,N,N-trimethyl-, bromide
Systematic Name English
Ro-2-0683
Common Name English
Carbamic acid, dimethyl-, ester with trimethyl(5-phenylsalicyl)ammonium bromide
Systematic Name English
NSC-306692
Code English
Trimethyl(5-phenylsalicyl)ammonium bromide, dimethylcarbamate
Systematic Name English
RO-20683
Common Name English
NU-683
Code English
Code System Code Type Description
PUBCHEM
164903
Created by admin on Sat Dec 16 12:49:32 GMT 2023 , Edited by admin on Sat Dec 16 12:49:32 GMT 2023
PRIMARY
EPA CompTox
DTXSID70941310
Created by admin on Sat Dec 16 12:49:32 GMT 2023 , Edited by admin on Sat Dec 16 12:49:32 GMT 2023
PRIMARY
NSC
306692
Created by admin on Sat Dec 16 12:49:32 GMT 2023 , Edited by admin on Sat Dec 16 12:49:32 GMT 2023
PRIMARY
CAS
1954-17-2
Created by admin on Sat Dec 16 12:49:32 GMT 2023 , Edited by admin on Sat Dec 16 12:49:32 GMT 2023
PRIMARY
FDA UNII
FKT5WGE47Y
Created by admin on Sat Dec 16 12:49:32 GMT 2023 , Edited by admin on Sat Dec 16 12:49:32 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE