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Details

Stereochemistry ACHIRAL
Molecular Formula C21H30N2O4.ClH
Molecular Weight 410.935
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of RE-104 HYDROCHLORIDE

SMILES

Cl.CC(C)N(CCC1=CNC2=C1C(OC(=O)CCCC(O)=O)=CC=C2)C(C)C

InChI

InChIKey=KGTHNSPZFZGCGX-UHFFFAOYSA-N
InChI=1S/C21H30N2O4.ClH/c1-14(2)23(15(3)4)12-11-16-13-22-17-7-5-8-18(21(16)17)27-20(26)10-6-9-19(24)25;/h5,7-8,13-15,22H,6,9-12H2,1-4H3,(H,24,25);1H

HIDE SMILES / InChI

Molecular Formula ClH
Molecular Weight 36.461
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C21H30N2O4
Molecular Weight 374.4739
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Targets

Targets

Primary TargetPharmacologyConditionPotency
Target ID: P28223
Gene ID: 3356.0
Gene Symbol: HTR2A
Target Organism: Homo sapiens (Human)
93.0 nM [EC50]
Substance Class Chemical
Created
by admin
on Wed Apr 02 18:03:53 GMT 2025
Edited
by admin
on Wed Apr 02 18:03:53 GMT 2025
Record UNII
99Z3SJY4GD
Record Status Validated (UNII)
Record Version
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Name Type Language
RE-104 HYDROCHLORIDE
Code English
FT-104 HYDROCHLORIDE
Preferred Name English
Pentanedioic acid, 1-[3-[2-[bis(1-methylethyl)amino]ethyl]-1H-indol-4-yl] ester, hydrochloride (1:1)
Systematic Name English
RE104 HYDROCHLORIDE
Code English
Code System Code Type Description
CAS
2756001-46-2
Created by admin on Wed Apr 02 18:03:53 GMT 2025 , Edited by admin on Wed Apr 02 18:03:53 GMT 2025
PRIMARY
FDA UNII
99Z3SJY4GD
Created by admin on Wed Apr 02 18:03:53 GMT 2025 , Edited by admin on Wed Apr 02 18:03:53 GMT 2025
PRIMARY
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