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Details

Stereochemistry ABSOLUTE
Molecular Formula C18H28N2O4.ClH
Molecular Weight 372.8875
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ACEBUTOLOL HYDROCHLORIDE, (R)-

SMILES

CCCC(=Nc1ccc(c(c1)C(=O)C)OC[C@@]([H])(CNC(C)C)O)O.Cl

InChI

InChIKey=KTUFKADDDORSSI-XFULWGLBSA-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/t15-;/m1./s1

HIDE SMILES / InChI

Molecular Formula ClH
Molecular Weight 36.4609
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C18H28N2O4
Molecular Weight 336.4266
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Jun 26 09:22:01 UTC 2021
Edited
by admin
on Sat Jun 26 09:22:01 UTC 2021
Record UNII
54R304VX87
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ACEBUTOLOL HYDROCHLORIDE, (R)-
Common Name English
BUTANAMIDE, N-(3-ACETYL-4-((2R)-2-HYDROXY-3-((1-METHYLETHYL)AMINO)PROPOXY)PHENYL)-, MONOHYDROCHLORIDE
Systematic Name English
BUTANAMIDE, N-(3-ACETYL-4-(2-HYDROXY-3-((1-METHYLETHYL)AMINO)PROPOXY)PHENYL)-, MONOHYDROCHLORIDE, (R)-
Systematic Name English
Code System Code Type Description
FDA UNII
54R304VX87
Created by admin on Sat Jun 26 09:22:01 UTC 2021 , Edited by admin on Sat Jun 26 09:22:01 UTC 2021
PRIMARY
PUBCHEM
18602100
Created by admin on Sat Jun 26 09:22:01 UTC 2021 , Edited by admin on Sat Jun 26 09:22:01 UTC 2021
PRIMARY
CAS
96450-13-4
Created by admin on Sat Jun 26 09:22:01 UTC 2021 , Edited by admin on Sat Jun 26 09:22:01 UTC 2021
PRIMARY
Related Record Type Details
RACEMATE -> ENANTIOMER