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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(C)=O)=C(OCC(O)CNCC)C=C1

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

Unknown
139594
Substance Class Chemical
Created
by admin
on Sat Dec 16 06:52:42 UTC 2023
Edited
by admin
on Sat Dec 16 06:52:42 UTC 2023
Record UNII
7S5Y42O804
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
RAC N-DESISOPROPYL-N-ETHYL ACEBUTOLOL
Common Name English
ACEBUTOLOL HYDROCHLORIDE IMPURITY I [EP IMPURITY]
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 Sat Dec 16 06:52:42 UTC 2023 , Edited by admin on Sat Dec 16 06:52:42 UTC 2023
PRIMARY
FDA UNII
7S5Y42O804
Created by admin on Sat Dec 16 06:52:42 UTC 2023 , Edited by admin on Sat Dec 16 06:52:42 UTC 2023
PRIMARY
CAS
441019-91-6
Created by admin on Sat Dec 16 06:52:42 UTC 2023 , Edited by admin on Sat Dec 16 06:52:42 UTC 2023
PRIMARY
RS_ITEM_NUM
1000699
Created by admin on Sat Dec 16 06:52:42 UTC 2023 , Edited by admin on Sat Dec 16 06:52:42 UTC 2023
PRIMARY
Related Record Type Details
Structure of ACEBUTOLOL HYDROCHLORIDE
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
USP
Structure of ACEBUTOLOL HYDROCHLORIDE
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP
NIH
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