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Details

Stereochemistry ABSOLUTE
Molecular Formula C25H35NO4
Molecular Weight 413.5497
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

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

SMILES

CCC(C)(C)NC[C@@H](O)COC1=C(OC)C=CC(CCC(=O)C2=CC=C(C)C=C2)=C1

InChI

InChIKey=WUUQBRHWNUFEEB-OAQYLSRUSA-N
InChI=1S/C25H35NO4/c1-6-25(3,4)26-16-21(27)17-30-24-15-19(10-14-23(24)29-5)9-13-22(28)20-11-7-18(2)8-12-20/h7-8,10-12,14-15,21,26-27H,6,9,13,16-17H2,1-5H3/t21-/m1/s1

HIDE SMILES / InChI

Molecular Formula C25H35NO4
Molecular Weight 413.5497
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 10:52:01 GMT 2023
Edited
by admin
on Sat Dec 16 10:52:01 GMT 2023
Record UNII
Z0458Q5ESH
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ALPRAFENONE, (R)-
Common Name English
1-PROPANONE, 3-(3-((2R)-3-((1,1-DIMETHYLPROPYL)AMINO)-2-HYDROXYPROPOXY)-4-METHOXYPHENYL)-1-(4-METHYLPHENYL)-
Systematic Name English
Code System Code Type Description
FDA UNII
Z0458Q5ESH
Created by admin on Sat Dec 16 10:52:01 GMT 2023 , Edited by admin on Sat Dec 16 10:52:01 GMT 2023
PRIMARY
PUBCHEM
76964474
Created by admin on Sat Dec 16 10:52:01 GMT 2023 , Edited by admin on Sat Dec 16 10:52:01 GMT 2023
PRIMARY
CAS
401900-46-7
Created by admin on Sat Dec 16 10:52:01 GMT 2023 , Edited by admin on Sat Dec 16 10:52:01 GMT 2023
PRIMARY
Related Record Type Details
RACEMATE -> ENANTIOMER