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Details

Stereochemistry RACEMIC
Molecular Formula C19H25Cl2N3O3
Molecular Weight 414.326
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of GR-89696

SMILES

COC(=O)N1CCN(C(CN2CCCC2)C1)C(=O)CC3=CC=C(Cl)C(Cl)=C3

InChI

InChIKey=HJUAKZYKCANOOZ-UHFFFAOYSA-N
InChI=1S/C19H25Cl2N3O3/c1-27-19(26)23-8-9-24(15(13-23)12-22-6-2-3-7-22)18(25)11-14-4-5-16(20)17(21)10-14/h4-5,10,15H,2-3,6-9,11-13H2,1H3

HIDE SMILES / InChI

Molecular Formula C19H25Cl2N3O3
Molecular Weight 414.326
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 11:38:01 GMT 2023
Edited
by admin
on Sat Dec 16 11:38:01 GMT 2023
Record UNII
YXV3Q43RS9
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
GR-89696
Common Name English
J363.375F
Code English
GR89696
Code English
4-((3,4-DICHLOROPHENYL)ACETYL)-3-(PYRROLIDIN-1-YLMETHYL)PIPERAZINE-1-CARBOXYLIC ACID METHYL ESTER
Systematic Name English
1-PIPERAZINECARBOXYLIC ACID, 4-((3,4-DICHLOROPHENYL)ACETYL)-3-(1-PYRROLIDINYLMETHYL)-, METHYL ESTER
Systematic Name English
(±)-METHYL 4-((3,4-DICHLOROPHENYL)ACETYL)-3-(PYRROLIDIN-1-YLMETHYL)PIPERAZINE-1-CARBOXYLATE
Systematic Name English
1-PIPERAZINECARBOXYLIC ACID, 4-(2-(3,4-DICHLOROPHENYL)ACETYL)-3-(1-PYRROLIDINYLMETHYL)-, METHYL ESTER
Systematic Name English
Code System Code Type Description
PUBCHEM
3505
Created by admin on Sat Dec 16 11:38:01 GMT 2023 , Edited by admin on Sat Dec 16 11:38:01 GMT 2023
PRIMARY
CAS
126766-31-2
Created by admin on Sat Dec 16 11:38:01 GMT 2023 , Edited by admin on Sat Dec 16 11:38:01 GMT 2023
PRIMARY
EPA CompTox
DTXSID50875164
Created by admin on Sat Dec 16 11:38:01 GMT 2023 , Edited by admin on Sat Dec 16 11:38:01 GMT 2023
PRIMARY
FDA UNII
YXV3Q43RS9
Created by admin on Sat Dec 16 11:38:01 GMT 2023 , Edited by admin on Sat Dec 16 11:38:01 GMT 2023
PRIMARY
Related Record Type Details
ENANTIOMER -> RACEMATE