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Details

Stereochemistry MIXED
Molecular Formula C36H55N5O8
Molecular Weight 685.8506
Optical Activity UNSPECIFIED
Defined Stereocenters 0 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-[3-acetyl-4-[3-[[3-[2-acetyl-4-(diethylcarbamoylamino)phenoxy]-2-hydroxy-propyl]-tert-butyl-amino]-2-hydroxy-propoxy]phenyl]-1,1-diethyl-urea

SMILES

CCN(CC)C(=O)NC1=CC=C(OCC(O)CN(CC(O)COC2=CC=C(NC(=O)N(CC)CC)C=C2C(C)=O)C(C)(C)C)C(=C1)C(C)=O

InChI

InChIKey=KVDKGZSXVBSTBV-UHFFFAOYSA-N
InChI=1S/C36H55N5O8/c1-10-39(11-2)34(46)37-26-14-16-32(30(18-26)24(5)42)48-22-28(44)20-41(36(7,8)9)21-29(45)23-49-33-17-15-27(19-31(33)25(6)43)38-35(47)40(12-3)13-4/h14-19,28-29,44-45H,10-13,20-23H2,1-9H3,(H,37,46)(H,38,47)

HIDE SMILES / InChI

Molecular Formula C36H55N5O8
Molecular Weight 685.8506
Charge 0
Count
Stereochemistry MIXED
Additional Stereochemistry No
Defined Stereocenters 0 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 17:30:16 GMT 2025
Edited
by admin
on Wed Apr 02 17:30:16 GMT 2025
Record UNII
Z5JKM7XG6J
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-[3-acetyl-4-[3-[[3-[2-acetyl-4-(diethylcarbamoylamino)phenoxy]-2-hydroxy-propyl]-tert-butyl-amino]-2-hydroxy-propoxy]phenyl]-1,1-diethyl-urea
Systematic Name English
CELIPROLOL HYDROCHLORIDE IMPURITY E [EP IMPURITY]
Preferred Name English
1,1'-((((tert-butylazanediyl)bis(2-hydroxypropane-3,1-diyl))bis(oxy))bis(3-acetyl-4,1-phenylene))bis(3,3-diethylurea)
Systematic Name English
N-[3-acetyl-4-[(2?)-3-[[(2?)-3-[2-acetyl-4-[(diethylcarbamoyl)amino]phenoxy]-2-hydroxypropyl](tert-butyl)amino]-2-hydroxypropoxy]phenyl]-N?,N?-diethylurea,
Systematic Name English
Code System Code Type Description
FDA UNII
Z5JKM7XG6J
Created by admin on Wed Apr 02 17:30:16 GMT 2025 , Edited by admin on Wed Apr 02 17:30:16 GMT 2025
PRIMARY
PUBCHEM
129318401
Created by admin on Wed Apr 02 17:30:16 GMT 2025 , Edited by admin on Wed Apr 02 17:30:16 GMT 2025
PRIMARY
CAS
2731998-00-6
Created by admin on Wed Apr 02 17:30:16 GMT 2025 , Edited by admin on Wed Apr 02 17:30:16 GMT 2025
PRIMARY
Related Record Type Details
PARENT -> IMPURITY