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Details

Stereochemistry RACEMIC
Molecular Formula C20H33N3O4
Molecular Weight 379.4937
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1-{3-acetyl-4-[3-(diethylamino)-2-hydroxypropoxy]phenyl}-3,3-diethylurea

SMILES

CCN(CC)CC(O)COC1=CC=C(NC(=O)N(CC)CC)C=C1C(C)=O

InChI

InChIKey=PNSNHCBKRZFNRO-UHFFFAOYSA-N
InChI=1S/C20H33N3O4/c1-6-22(7-2)13-17(25)14-27-19-11-10-16(12-18(19)15(5)24)21-20(26)23(8-3)9-4/h10-12,17,25H,6-9,13-14H2,1-5H3,(H,21,26)

HIDE SMILES / InChI

Molecular Formula C20H33N3O4
Molecular Weight 379.4937
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 Wed Apr 02 17:21:22 GMT 2025
Edited
by admin
on Wed Apr 02 17:21:22 GMT 2025
Record UNII
ZJT5JSY8GD
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1-{3-acetyl-4-[3-(diethylamino)-2-hydroxypropoxy]phenyl}-3,3-diethylurea
Systematic Name English
Celiprolol Hydrochloride Impurity D [EP IMPURITY]
Preferred Name English
N?-[3-Acetyl-4-[3-(diethylamino)-2-hydroxypropoxy]phenyl]-N,N-diethylurea
Systematic Name English
N-[3-acetyl-4-[(2RS)-3-(diethylamino)-2-hydroxypropoxy]phenyl]-N?,N?-diethylurea
Systematic Name English
Urea, N?-[3-acetyl-4-[3-(diethylamino)-2-hydroxypropoxy]phenyl]-N,N-diethyl-
Systematic Name English
3-[3-Acetyl-4-[(2RS)-3-(diethylamino)-2-hydroxypropoxy]phenyl]-1,1-diethylurea
Systematic Name English
Code System Code Type Description
PUBCHEM
129318402
Created by admin on Wed Apr 02 17:21:22 GMT 2025 , Edited by admin on Wed Apr 02 17:21:22 GMT 2025
PRIMARY
FDA UNII
ZJT5JSY8GD
Created by admin on Wed Apr 02 17:21:22 GMT 2025 , Edited by admin on Wed Apr 02 17:21:22 GMT 2025
PRIMARY
CAS
2727065-34-9
Created by admin on Wed Apr 02 17:21:22 GMT 2025 , Edited by admin on Wed Apr 02 17:21:22 GMT 2025
PRIMARY
Related Record Type Details
PARENT -> IMPURITY