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Details

Stereochemistry ACHIRAL
Molecular Formula C18H26N2O3.2ClH
Molecular Weight 391.333
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 5-(dimethylamino)-2-[3-(dimethylamino)propanoyl]-1-(4-hydroxyphenyl)pent-1-en-3-one dihydrochloride

SMILES

Cl.Cl.CN(C)CCC(=O)C(=CC1=CC=C(O)C=C1)C(=O)CCN(C)C

InChI

InChIKey=MRYLPJWRMVOXBI-UHFFFAOYSA-N
InChI=1S/C18H26N2O3.2ClH/c1-19(2)11-9-17(22)16(18(23)10-12-20(3)4)13-14-5-7-15(21)8-6-14;;/h5-8,13,21H,9-12H2,1-4H3;2*1H

HIDE SMILES / InChI

Approval Year

Name Type Language
5-(dimethylamino)-2-[3-(dimethylamino)propanoyl]-1-(4-hydroxyphenyl)pent-1-en-3-one dihydrochloride
Systematic Name English
NSC-340307
Preferred Name English
3,5-Heptanedione, 1,7-bis(dimethylamino)-4-[(4-hydroxyphenyl)methylene]-, dihydrochloride
Systematic Name English
3,5-Heptanedione, 1,7-bis(dimethylamino)-4-[(4-hydroxyphenyl)methylene]-, hydrochloride (1:2)
Systematic Name English
1,7-bis(dimethylamino)-4-[(4-hydroxyphenyl)methylidene]heptane-3,5-dione dihydrochloride
Common Name English
Code System Code Type Description
PUBCHEM
10363025
Created by admin on Wed Apr 02 15:41:30 GMT 2025 , Edited by admin on Wed Apr 02 15:41:30 GMT 2025
PRIMARY
NSC
340307
Created by admin on Wed Apr 02 15:41:30 GMT 2025 , Edited by admin on Wed Apr 02 15:41:30 GMT 2025
PRIMARY
CAS
87497-28-7
Created by admin on Wed Apr 02 15:41:30 GMT 2025 , Edited by admin on Wed Apr 02 15:41:30 GMT 2025
PRIMARY
EPA CompTox
DTXSID50236357
Created by admin on Wed Apr 02 15:41:30 GMT 2025 , Edited by admin on Wed Apr 02 15:41:30 GMT 2025
PRIMARY
FDA UNII
YP4ZZ4QQV4
Created by admin on Wed Apr 02 15:41:30 GMT 2025 , Edited by admin on Wed Apr 02 15:41:30 GMT 2025
PRIMARY