U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS
This repository is under review for potential modification in compliance with Administration directives.

Details

Stereochemistry RACEMIC
Molecular Formula C17H26N2O4
Molecular Weight 322.3993
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of RAC N-DESISOPROPYL-N-ETHYL ACEBUTOLOL

SMILES

CCCC(=O)NC1=CC=C(OCC(O)CNCC)C(=C1)C(C)=O

InChI

InChIKey=BKGQPZMMLAGZCQ-UHFFFAOYSA-N
InChI=1S/C17H26N2O4/c1-4-6-17(22)19-13-7-8-16(15(9-13)12(3)20)23-11-14(21)10-18-5-2/h7-9,14,18,21H,4-6,10-11H2,1-3H3,(H,19,22)

HIDE SMILES / InChI

Molecular Formula C17H26N2O4
Molecular Weight 322.3993
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 Mon Mar 31 21:38:51 GMT 2025
Edited
by admin
on Mon Mar 31 21:38:51 GMT 2025
Record UNII
7S5Y42O804
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ACEBUTOLOL HYDROCHLORIDE IMPURITY I [EP IMPURITY]
Preferred Name English
RAC N-DESISOPROPYL-N-ETHYL ACEBUTOLOL
Common Name English
(±)-N-(3-ACETYL-4-(3-(ETHYLAMINO)-2-HYDROXYPROPOXY)PHENYL)BUTANAMIDE
Systematic Name English
N-(3-ACETYL-4-(3-(ETHYLAMINO)-2-HYDROXYPROPOXY)PHENYL)BUTYRAMIDE
Systematic Name English
ACEBUTOLOL RELATED COMPOUND I [USP-RS]
Common Name English
BUTANAMIDE, N-(3-ACETYL-4-(3-(ETHYLAMINO)-2-HYDROXYPROPOXY)PHENYL)-
Systematic Name English
ACEBUTOLOL RELATED COMPOUND I [USP IMPURITY]
Common Name English
N-(3-ACETYL-4-((2RS)-3-(ETHYLAMINO)-2-HYDROXYPROPOXY)PHENYL)BUTANAMIDE
Systematic Name English
N-(3-ACETYL-4-(3-(ETHYLAMINO)-2-HYDROXYPROPOXY)PHENYL)BUTANAMIDE
Systematic Name English
Code System Code Type Description
PUBCHEM
71315683
Created by admin on Mon Mar 31 21:38:51 GMT 2025 , Edited by admin on Mon Mar 31 21:38:51 GMT 2025
PRIMARY
FDA UNII
7S5Y42O804
Created by admin on Mon Mar 31 21:38:51 GMT 2025 , Edited by admin on Mon Mar 31 21:38:51 GMT 2025
PRIMARY
CAS
441019-91-6
Created by admin on Mon Mar 31 21:38:51 GMT 2025 , Edited by admin on Mon Mar 31 21:38:51 GMT 2025
PRIMARY
RS_ITEM_NUM
1000699
Created by admin on Mon Mar 31 21:38:51 GMT 2025 , Edited by admin on Mon Mar 31 21:38:51 GMT 2025
PRIMARY
Related Record Type Details
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
USP
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP