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Details

Stereochemistry ACHIRAL
Molecular Formula C27H34N2O7
Molecular Weight 498.5691
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1,3-BIS(2-ACETYL- 4-BUTYRAMIDOPHENOXY)-2-HYDROXYPROPANE

SMILES

CCCC(=Nc1ccc(c(c1)C(=O)C)OCC(COc2ccc(cc2C(=O)C)N=C(CCC)O)O)O

InChI

InChIKey=DSBONHQVMSZXNU-UHFFFAOYSA-N
InChI=1S/C27H34N2O7/c1-5-7-26(33)28-19-9-11-24(22(13-19)17(3)30)35-15-21(32)16-36-25-12-10-20(14-23(25)18(4)31)29-27(34)8-6-2/h9-14,21,32H,5-8,15-16H2,1-4H3,(H,28,33)(H,29,34)

HIDE SMILES / InChI

Molecular Formula C27H34N2O7
Molecular Weight 498.5691
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Jun 26 14:00:30 UTC 2021
Edited
by admin
on Sat Jun 26 14:00:30 UTC 2021
Record UNII
6S2RD291K0
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1,3-BIS(2-ACETYL- 4-BUTYRAMIDOPHENOXY)-2-HYDROXYPROPANE
Systematic Name English
N,N'-((2-HYDROXYPROPANE-1,3-DIYL)BIS(OXY(3-ACETYL-1,4-PHENYLENE)))DIBUTANAMIDE
Systematic Name English
ACEBUTOLOL HYDROCHLORIDE IMPURITY H [EP]
Common Name English
Code System Code Type Description
PUBCHEM
71587977
Created by admin on Sat Jun 26 14:00:30 UTC 2021 , Edited by admin on Sat Jun 26 14:00:30 UTC 2021
PRIMARY
EPA CompTox
1329613-31-1
Created by admin on Sat Jun 26 14:00:30 UTC 2021 , Edited by admin on Sat Jun 26 14:00:30 UTC 2021
PRIMARY
CAS
1329613-31-1
Created by admin on Sat Jun 26 14:00:30 UTC 2021 , Edited by admin on Sat Jun 26 14:00:30 UTC 2021
PRIMARY
FDA UNII
6S2RD291K0
Created by admin on Sat Jun 26 14:00:30 UTC 2021 , Edited by admin on Sat Jun 26 14:00:30 UTC 2021
PRIMARY
Related Record Type Details
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP