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Details

Stereochemistry RACEMIC
Molecular Formula C18H28N2O4.ClH
Molecular Weight 372.887
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ACEBUTOLOL HYDROCHLORIDE

SMILES

Cl.CCCC(=O)NC1=CC(C(C)=O)=C(OCC(O)CNC(C)C)C=C1

InChI

InChIKey=KTUFKADDDORSSI-UHFFFAOYSA-N
InChI=1S/C18H28N2O4.ClH/c1-5-6-18(23)20-14-7-8-17(16(9-14)13(4)21)24-11-15(22)10-19-12(2)3;/h7-9,12,15,19,22H,5-6,10-11H2,1-4H3,(H,20,23);1H

HIDE SMILES / InChI
Molecular Formula ClH
Molecular Weight 36.461
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE
Molecular Formula C18H28N2O4
Molecular Weight 336.4259
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Unknown
86413
Substance Class Chemical
Created
by admin
on Fri Dec 15 15:37:14 UTC 2023
Edited
by admin
on Fri Dec 15 15:37:14 UTC 2023
Record UNII
B025Y34C54
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ACEBUTOLOL HYDROCHLORIDE
EP   HSDB   MART.   MI   ORANGE BOOK   USP   USP-RS   VANDF   WHO-DD  
Common Name English
BUTANAMIDE, N-(3-ACETYL-4-(2-HYDROXY-3-((1-METHYLETHYL)AMINO)PROPOXY)PHENYL)-, MONOHYDROCHLORIDE, (±)-
Common Name English
ACEBUTOLOL HYDROCHLORIDE [VANDF]
Common Name English
Acebutolol hydrochloride [WHO-DD]
Common Name English
ACETANOL
Brand Name English
IL-17803A
Code English
B-17803A
Code English
ACEBUTOLOL HYDROCHLORIDE [JAN]
Common Name English
M&B-17803A
Code English
ACEBUTOLOL HYDROCHLORIDE [USP IMPURITY]
Common Name English
M&B 17803A
Code English
ACEBUTOLOL HYDROCHLORIDE [ORANGE BOOK]
Common Name English
ACEBUTOLOL HYDROCHLORIDE [USP-RS]
Common Name English
B 17803A
Code English
PRENT
Brand Name English
(±)-3'-ACETYL-4'-(2-HYDROXY-3-(ISOPROPYLAMINO)PROPOXY)BUTYRANILIDE MONOHYDROCHLORIDE
Systematic Name English
ACEBUTOLOL HYDROCHLORIDE [HSDB]
Common Name English
ACEBUTOLOL HYDROCHLORIDE [MI]
Common Name English
N-(3-ACETYL-4-(2-HYDROXY-3-((1-METHYLETHYL)AMINO)PROPOXY)PHENYL)-, MONOHYDROCHLORIDE, (±)-
Common Name English
ACEBUTOLOL HYDROCHLORIDE [MART.]
Common Name English
NEPTAL
Brand Name English
M&AMP
Code English
NSC-757412
Code English
ACEBUTOLOL HYDROCHLORIDE [EP IMPURITY]
Common Name English
ACEBUTOLOL HYDROCHLORIDE [USP MONOGRAPH]
Common Name English
ACEBUTOLOL HYDROCHLORIDE [EP MONOGRAPH]
Common Name English
ACEBUTOLOL HCL
Common Name English
SECTRAL
Brand Name English
Classification Tree Code System Code
NCI_THESAURUS C29576
Created by admin on Fri Dec 15 15:37:14 UTC 2023 , Edited by admin on Fri Dec 15 15:37:14 UTC 2023
EU-Orphan Drug EU/3/16/1742
Created by admin on Fri Dec 15 15:37:14 UTC 2023 , Edited by admin on Fri Dec 15 15:37:14 UTC 2023
Code System Code Type Description
ECHA (EC/EINECS)
251-980-3
Created by admin on Fri Dec 15 15:37:14 UTC 2023 , Edited by admin on Fri Dec 15 15:37:14 UTC 2023
PRIMARY
PUBCHEM
36816
Created by admin on Fri Dec 15 15:37:14 UTC 2023 , Edited by admin on Fri Dec 15 15:37:14 UTC 2023
PRIMARY
SMS_ID
100000091380
Created by admin on Fri Dec 15 15:37:14 UTC 2023 , Edited by admin on Fri Dec 15 15:37:14 UTC 2023
PRIMARY
EPA CompTox
DTXSID5045461
Created by admin on Fri Dec 15 15:37:14 UTC 2023 , Edited by admin on Fri Dec 15 15:37:14 UTC 2023
PRIMARY
ChEMBL
CHEMBL642
Created by admin on Fri Dec 15 15:37:14 UTC 2023 , Edited by admin on Fri Dec 15 15:37:14 UTC 2023
PRIMARY
RXCUI
142130
Created by admin on Fri Dec 15 15:37:14 UTC 2023 , Edited by admin on Fri Dec 15 15:37:14 UTC 2023
PRIMARY RxNorm
NCI_THESAURUS
C28806
Created by admin on Fri Dec 15 15:37:14 UTC 2023 , Edited by admin on Fri Dec 15 15:37:14 UTC 2023
PRIMARY
HSDB
6524
Created by admin on Fri Dec 15 15:37:14 UTC 2023 , Edited by admin on Fri Dec 15 15:37:14 UTC 2023
PRIMARY
CHEBI
2380
Created by admin on Fri Dec 15 15:37:14 UTC 2023 , Edited by admin on Fri Dec 15 15:37:14 UTC 2023
PRIMARY
FDA UNII
B025Y34C54
Created by admin on Fri Dec 15 15:37:14 UTC 2023 , Edited by admin on Fri Dec 15 15:37:14 UTC 2023
PRIMARY
DRUG BANK
DBSALT000192
Created by admin on Fri Dec 15 15:37:14 UTC 2023 , Edited by admin on Fri Dec 15 15:37:14 UTC 2023
PRIMARY
RS_ITEM_NUM
1000601
Created by admin on Fri Dec 15 15:37:14 UTC 2023 , Edited by admin on Fri Dec 15 15:37:14 UTC 2023
PRIMARY
CAS
34381-68-5
Created by admin on Fri Dec 15 15:37:14 UTC 2023 , Edited by admin on Fri Dec 15 15:37:14 UTC 2023
PRIMARY
NSC
757412
Created by admin on Fri Dec 15 15:37:14 UTC 2023 , Edited by admin on Fri Dec 15 15:37:14 UTC 2023
PRIMARY
DAILYMED
B025Y34C54
Created by admin on Fri Dec 15 15:37:14 UTC 2023 , Edited by admin on Fri Dec 15 15:37:14 UTC 2023
PRIMARY
EVMPD
SUB00240MIG
Created by admin on Fri Dec 15 15:37:14 UTC 2023 , Edited by admin on Fri Dec 15 15:37:14 UTC 2023
PRIMARY
MERCK INDEX
m1290
Created by admin on Fri Dec 15 15:37:14 UTC 2023 , Edited by admin on Fri Dec 15 15:37:14 UTC 2023
PRIMARY Merck Index
Related Record Type Details
Structure of ACEBUTOLOL HYDROCHLORIDE
BASIS OF STRENGTH->SUBSTANCE
ASSAY (HPLC)
USP
Structure of ACEBUTOLOL HYDROCHLORIDE, (S)-
RACEMATE -> ENANTIOMER
Structure of ACEBUTOLOL
PARENT -> SALT/SOLVATE
Structure of ACEBUTOLOL HYDROCHLORIDE, (R)-
ENANTIOMER -> RACEMATE
Related Record Type Details
Structure of N-(3-ACETYL-4-(2-HYDROXY-3-((1-METHYLETHYL)AMINO)PROPOXY)PHENYL)PROPANAMIDE
IMPURITY -> PARENT
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP
Structure of RAC N-DESISOPROPYL-N-ETHYL ACEBUTOLOL
IMPURITY -> PARENT
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP
Structure of N-(3-ACETYL-4-(OXIRAN-2-YLMETHOXY)PHENYL)BUTANAMIDE
IMPURITY -> PARENT
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP
Structure of ACEBUTOLOL DIMER
IMPURITY -> PARENT
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP
Structure of ACETUTOLOL
IMPURITY -> PARENT
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP
Structure of N-(3-ACETYL-4-(3-(2-ACETYL-4-(BUTANOYLAMINO)PHENOXY)-2-HYDROXYPROPOXY)PHENYL)BUTANAMIDE
IMPURITY -> PARENT
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP
Structure of N-(4-(2-HYDROXY-3-((1-METHYLETHYL)AMINO)PROPOXY)-3-(1-OXOBUTYL)PHENYL)BUTANAMIDE
IMPURITY -> PARENT
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP
Structure of RAC DES(ISOPROPYLAMINO) ACEBUTOLOL DIOL
IMPURITY -> PARENT
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP
Structure of DEACYL ACEBUTOLOL
IMPURITY -> PARENT
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP
Structure of 2-ACETYL-4-BUTYRAMIDOPHENOL
IMPURITY -> PARENT
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP
Structure of DIACETOLOL
IMPURITY -> PARENT
CHROMATOGRAPHIC PURITY (HPLC/UV)
USP
Structure of RAC N-DESISOPROPYL-N-ETHYL ACEBUTOLOL
IMPURITY -> PARENT
CHROMATOGRAPHIC PURITY (HPLC/UV)
USP
Structure of 2-ACETYL-4-BUTYRAMIDOPHENOL
IMPURITY -> PARENT
CHROMATOGRAPHIC PURITY (HPLC/UV)
USP
Related Record Type Details
Structure of ACEBUTOLOL
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