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Details

Stereochemistry RACEMIC
Molecular Formula C13H19NO4
Molecular Weight 253.2943
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4-(2-HYDROXY-3-((1-METHYLETHYL)AMINO)PROPOXY)BENZOIC ACID

SMILES

CC(C)NCC(O)COC1=CC=C(C=C1)C(O)=O

InChI

InChIKey=WONQRVASZHJNFS-UHFFFAOYSA-N
InChI=1S/C13H19NO4/c1-9(2)14-7-11(15)8-18-12-5-3-10(4-6-12)13(16)17/h3-6,9,11,14-15H,7-8H2,1-2H3,(H,16,17)

HIDE SMILES / InChI

Molecular Formula C13H19NO4
Molecular Weight 253.2943
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Patents

Patents

Substance Class Chemical
Created
by admin
on Tue Mar 06 11:42:40 UTC 2018
Edited
by admin
on Tue Mar 06 11:42:40 UTC 2018
Record UNII
AS7314B2NH
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
4-(2-HYDROXY-3-((1-METHYLETHYL)AMINO)PROPOXY)BENZOIC ACID
Systematic Name English
H-112/02
Code English
BENZOIC ACID, 4-(2-HYDROXY-3-((1-METHYLETHYL)AMINO)PROPOXY)-
Systematic Name English
DES(ISOPROPOXYETHYL) BISOPROLOL ACID
Common Name English
H 112/02
Code English
BISOPROLOL (M3)
Common Name English
Code System Code Type Description
EPA CompTox
72570-70-8
Created by admin on Tue Mar 06 11:42:40 UTC 2018 , Edited by admin on Tue Mar 06 11:42:40 UTC 2018
PRIMARY
CAS
72570-70-8
Created by admin on Tue Mar 06 11:42:40 UTC 2018 , Edited by admin on Tue Mar 06 11:42:40 UTC 2018
PRIMARY
PUBCHEM
12540204
Created by admin on Tue Mar 06 11:42:40 UTC 2018 , Edited by admin on Tue Mar 06 11:42:40 UTC 2018
PRIMARY
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