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

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 3-[3-Acetyl-4-[(2RS)-3-(diethylamino)-2-hydroxypropoxy]phenyl]-1,1-diethylurea

SMILES

CCN(CC)CC(O)COC1=C(C=C(NC(=O)N(CC)CC)C=C1)C(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 Sat Dec 16 19:49:22 GMT 2023
Edited
by admin
on Sat Dec 16 19:49:22 GMT 2023
Record UNII
ZJT5JSY8GD
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-[3-Acetyl-4-[(2RS)-3-(diethylamino)-2-hydroxypropoxy]phenyl]-1,1-diethylurea
Systematic 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
1-{3-acetyl-4-[3-(diethylamino)-2-hydroxypropoxy]phenyl}-3,3-diethylurea
Systematic Name English
Urea, N′-[3-acetyl-4-[3-(diethylamino)-2-hydroxypropoxy]phenyl]-N,N-diethyl-
Systematic Name English
Celiprolol Hydrochloride Impurity D [EP Impurity]
Common Name English
Code System Code Type Description
PUBCHEM
129318402
Created by admin on Sat Dec 16 19:49:22 GMT 2023 , Edited by admin on Sat Dec 16 19:49:22 GMT 2023
PRIMARY
FDA UNII
ZJT5JSY8GD
Created by admin on Sat Dec 16 19:49:22 GMT 2023 , Edited by admin on Sat Dec 16 19:49:22 GMT 2023
PRIMARY
CAS
2727065-34-9
Created by admin on Sat Dec 16 19:49:22 GMT 2023 , Edited by admin on Sat Dec 16 19:49:22 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> IMPURITY