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

Details

Stereochemistry RACEMIC
Molecular Formula C32H42Cl2N4O3
Molecular Weight 601.607
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1'-(2-(4-BENZOYL-2-(3,4-DICHLOROPHENYL)-2-MORPHOLINYL)ETHYL)-N,N-DIMETHYL(1,4'-BIPIPERIDINE)-4'-CARBOXAMIDE

SMILES

CN(C)C(=O)C1(CCN(CCC2(CN(CCO2)C(=O)C3=CC=CC=C3)C4=CC=C(Cl)C(Cl)=C4)CC1)N5CCCCC5

InChI

InChIKey=RVQZVVJLIUXDPN-UHFFFAOYSA-N
InChI=1S/C32H42Cl2N4O3/c1-35(2)30(40)31(38-16-7-4-8-17-38)13-18-36(19-14-31)20-15-32(26-11-12-27(33)28(34)23-26)24-37(21-22-41-32)29(39)25-9-5-3-6-10-25/h3,5-6,9-12,23H,4,7-8,13-22,24H2,1-2H3

HIDE SMILES / InChI

Molecular Formula C32H42Cl2N4O3
Molecular Weight 601.607
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 18:49:46 GMT 2023
Edited
by admin
on Sat Dec 16 18:49:46 GMT 2023
Record UNII
DW49TTG3JA
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1'-(2-(4-BENZOYL-2-(3,4-DICHLOROPHENYL)-2-MORPHOLINYL)ETHYL)-N,N-DIMETHYL(1,4'-BIPIPERIDINE)-4'-CARBOXAMIDE
Systematic Name English
1'-(2-(2-(3,4-DICHLOROPHENYL)-4-(PHENYLCARBONYL)MORPHOLIN-2-YL)ETHYL)-N,N-DIMETHYL-1,4'-BIPIPERIDINE-4'-CARBOXAMIDE
Systematic Name English
(1,4'-BIPIPERIDINE)-4'-CARBOXAMIDE, 1'-(2-(4-BENZOYL-2-(3,4-DICHLOROPHENYL)-2-MORPHOLINYL)ETHYL)-N,N-DIMETHYL-
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID7047354
Created by admin on Sat Dec 16 18:49:46 GMT 2023 , Edited by admin on Sat Dec 16 18:49:46 GMT 2023
PRIMARY
PUBCHEM
9808828
Created by admin on Sat Dec 16 18:49:46 GMT 2023 , Edited by admin on Sat Dec 16 18:49:46 GMT 2023
PRIMARY
CAS
476013-14-6
Created by admin on Sat Dec 16 18:49:46 GMT 2023 , Edited by admin on Sat Dec 16 18:49:46 GMT 2023
PRIMARY
FDA UNII
DW49TTG3JA
Created by admin on Sat Dec 16 18:49:46 GMT 2023 , Edited by admin on Sat Dec 16 18:49:46 GMT 2023
PRIMARY
Related Record Type Details
ENANTIOMER -> RACEMATE