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Details

Stereochemistry MIXED
Molecular Formula C20H25NO4
Molecular Weight 343.4168
Optical Activity UNSPECIFIED
Defined Stereocenters 0 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of METHYL LABETALOL ACID

SMILES

COC(=O)C1=CC(=CC=C1O)C(O)CNC(C)CCC2=CC=CC=C2

InChI

InChIKey=HDMYIQYFFYISIP-UHFFFAOYSA-N
InChI=1S/C20H25NO4/c1-14(8-9-15-6-4-3-5-7-15)21-13-19(23)16-10-11-18(22)17(12-16)20(24)25-2/h3-7,10-12,14,19,21-23H,8-9,13H2,1-2H3

HIDE SMILES / InChI

Molecular Formula C20H25NO4
Molecular Weight 343.4168
Charge 0
Count
Stereochemistry MIXED
Additional Stereochemistry No
Defined Stereocenters 0 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 14:16:18 GMT 2023
Edited
by admin
on Sat Dec 16 14:16:18 GMT 2023
Record UNII
GBD0X30YEG
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
METHYL LABETALOL ACID
Common Name English
LABETALOL-1-CARBOXYLIC ACID METHYL ESTER
Common Name English
BENZOIC ACID, 2-HYDROXY-5-(1-HYDROXY-2-((1-METHYL-3-PHENYLPROPYL)AMINO)ETHYL)-, METHYL ESTER
Systematic Name English
METHYL 2-HYDROXY-5-(1-HYDROXY-2-((1-METHYL-3-PHENYLPROPYL)AMINO)ETHYL)BENZOATE
Systematic Name English
SALICYLIC ACID, 5-(1-HYDROXY-2-((1-METHYL-3-PHENYLPROPYL)AMINO)ETHYL)-, METHYL ESTER
Common Name English
LABETALOL HYDROCHLORIDE IMPURITY B [EP IMPURITY]
Common Name English
Code System Code Type Description
FDA UNII
GBD0X30YEG
Created by admin on Sat Dec 16 14:16:18 GMT 2023 , Edited by admin on Sat Dec 16 14:16:18 GMT 2023
PRIMARY
PUBCHEM
71749710
Created by admin on Sat Dec 16 14:16:18 GMT 2023 , Edited by admin on Sat Dec 16 14:16:18 GMT 2023
PRIMARY
EPA CompTox
DTXSID40857914
Created by admin on Sat Dec 16 14:16:18 GMT 2023 , Edited by admin on Sat Dec 16 14:16:18 GMT 2023
PRIMARY
CAS
802620-01-5
Created by admin on Sat Dec 16 14:16:18 GMT 2023 , Edited by admin on Sat Dec 16 14:16:18 GMT 2023
PRIMARY