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Details

Stereochemistry ABSOLUTE
Molecular Formula C15H23NO2.C7H6O2
Molecular Weight 371.47
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ALPRENOLOL BENZOATE, (S)-

SMILES

OC(=O)C1=CC=CC=C1.CC(C)NC[C@H](O)COC2=C(CC=C)C=CC=C2

InChI

InChIKey=URFIUJMADXJBKL-UQKRIMTDSA-N
InChI=1S/C15H23NO2.C7H6O2/c1-4-7-13-8-5-6-9-15(13)18-11-14(17)10-16-12(2)3;8-7(9)6-4-2-1-3-5-6/h4-6,8-9,12,14,16-17H,1,7,10-11H2,2-3H3;1-5H,(H,8,9)/t14-;/m0./s1

HIDE SMILES / InChI

Molecular Formula C7H6O2
Molecular Weight 122.1213
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C15H23NO2
Molecular Weight 249.3486
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 08:04:35 GMT 2023
Edited
by admin
on Sat Dec 16 08:04:35 GMT 2023
Record UNII
13D1V640K7
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ALPRENOLOL BENZOATE, (S)-
Common Name English
BENZOIC ACID, COMPD. WITH 1-((1-METHYLETHYL)AMINO)-3-(2-(2-PROPENYL)PHENOXY)-2-PROPANOL (1:1), (S)-
Systematic Name English
Code System Code Type Description
PUBCHEM
67809227
Created by admin on Sat Dec 16 08:04:35 GMT 2023 , Edited by admin on Sat Dec 16 08:04:35 GMT 2023
PRIMARY
FDA UNII
13D1V640K7
Created by admin on Sat Dec 16 08:04:35 GMT 2023 , Edited by admin on Sat Dec 16 08:04:35 GMT 2023
PRIMARY
Related Record Type Details
RACEMATE -> ENANTIOMER