U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C18H28N2O4
Molecular Weight 336.4259
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

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

SMILES

CCCC(=O)NC1=CC(C(C)=O)=C(OC[C@H](O)CNC(C)C)C=C1

InChI

InChIKey=GOEMGAFJFRBGGG-OAHLLOKOSA-N
InChI=1S/C18H28N2O4/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)/t15-/m1/s1

HIDE SMILES / InChI

Molecular Formula C18H28N2O4
Molecular Weight 336.4259
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 Dec 16 18:11:09 GMT 2023
Edited
by admin
on Sat Dec 16 18:11:09 GMT 2023
Record UNII
856NOF5HE9
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ACEBUTOLOL, (R)-
Common Name English
(+)-ACEBUTOLOL
Common Name English
BUTANAMIDE, N-(3-ACETYL-4-((2R)-2-HYDROXY-3-((1-METHYLETHYL)AMINO)PROPOXY)PHENYL)-
Systematic Name English
BUTANAMIDE, N-(3-ACETYL-4-(2-HYDROXY-3-((1-METHYLETHYL)AMINO)PROPOXY)PHENYL)-, (R)-
Systematic Name English
R-ACEBUTOLOL
Common Name English
Code System Code Type Description
PUBCHEM
155082
Created by admin on Sat Dec 16 18:11:10 GMT 2023 , Edited by admin on Sat Dec 16 18:11:10 GMT 2023
PRIMARY
FDA UNII
856NOF5HE9
Created by admin on Sat Dec 16 18:11:10 GMT 2023 , Edited by admin on Sat Dec 16 18:11:10 GMT 2023
PRIMARY
EPA CompTox
DTXSID80218303
Created by admin on Sat Dec 16 18:11:10 GMT 2023 , Edited by admin on Sat Dec 16 18:11:10 GMT 2023
PRIMARY
CAS
68107-81-3
Created by admin on Sat Dec 16 18:11:10 GMT 2023 , Edited by admin on Sat Dec 16 18:11:10 GMT 2023
PRIMARY
Related Record Type Details
RACEMATE -> ENANTIOMER