U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C30H37NO7
Molecular Weight 523.6173
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 2
Charge 0

SHOW SMILES / InChI
Structure of TML-6

SMILES

CCN(CC)C(=O)CC(C)(C(=O)\C=C\C1=CC=C(OC)C(OC)=C1)C(=O)\C=C\C2=CC=C(OC)C(OC)=C2

InChI

InChIKey=UWVCYNXVZRDWSD-UNZYHPAISA-N
InChI=1S/C30H37NO7/c1-8-31(9-2)29(34)20-30(3,27(32)16-12-21-10-14-23(35-4)25(18-21)37-6)28(33)17-13-22-11-15-24(36-5)26(19-22)38-7/h10-19H,8-9,20H2,1-7H3/b16-12+,17-13+

HIDE SMILES / InChI

Molecular Formula C30H37NO7
Molecular Weight 523.6173
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 2
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 19:48:39 GMT 2025
Edited
by admin
on Wed Apr 02 19:48:39 GMT 2025
Record UNII
394YU46YVB
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
TML-6
Code English
TML6
Preferred Name English
(5E)-6-(3,4-Dimethoxyphenyl)-3-[(2E)-3-(3,4-dimethoxyphenyl)-1-oxo-2-propen-1-yl]-N,N-diethyl-3-methyl-4-oxo-5-hexenamide (ACI)
Systematic Name English
(5E)-6-(3,4-Dimethoxyphenyl)-3-[(2E)-3-(3,4-dimethoxyphenyl)-1-oxo-2-propen-1-yl]-N,N-diethyl-3-methyl-4-oxo-5-hexenamide
Systematic Name English
5-Hexenamide, 6-(3,4-dimethoxyphenyl)-3-[(2E)-3-(3,4-dimethoxyphenyl)-1-oxo-2-propen-1-yl]-N,N-diethyl-3-methyl-4-oxo-, (5E)-
Common Name English
Code System Code Type Description
FDA UNII
394YU46YVB
Created by admin on Wed Apr 02 19:48:39 GMT 2025 , Edited by admin on Wed Apr 02 19:48:39 GMT 2025
PRIMARY
CAS
1462868-88-7
Created by admin on Wed Apr 02 19:48:39 GMT 2025 , Edited by admin on Wed Apr 02 19:48:39 GMT 2025
PRIMARY
PUBCHEM
72705569
Created by admin on Wed Apr 02 19:48:39 GMT 2025 , Edited by admin on Wed Apr 02 19:48:39 GMT 2025
PRIMARY
Related Record Type Details
PARENT -> DERIVATIVE
Related Record Type Details
ACTIVE MOIETY