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Details

Stereochemistry ABSOLUTE
Molecular Formula C16H25NO4.ClH
Molecular Weight 331.8355
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ESMOLOL HYDROCHLORIDE, (S)-

SMILES

CC(C)NC[C@@]([H])(COc1ccc(cc1)CCC(=O)OC)O.Cl

InChI

InChIKey=GEKNCWBANDDJJL-UQKRIMTDSA-N
InChI=1S/C16H25NO4.ClH/c1-12(2)17-10-14(18)11-21-15-7-4-13(5-8-15)6-9-16(19)20-3;/h4-5,7-8,12,14,17-18H,6,9-11H2,1-3H3;1H/t14-;/m0./s1

HIDE SMILES / InChI

Molecular Formula ClH
Molecular Weight 36.4609
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C16H25NO4
Molecular Weight 295.3746
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 Jun 26 12:53:11 UTC 2021
Edited
by admin
on Sat Jun 26 12:53:11 UTC 2021
Record UNII
FDX80X52FG
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ESMOLOL HYDROCHLORIDE, (S)-
Common Name English
BENZENEPROPANOIC ACID, 4-((2S)-2-HYDROXY-3-((1-METHYLETHYL)AMINO)PROPOXY)-, METHYL ESTER, HYDROCHLORIDE
Common Name English
BENZENEPROPANOIC ACID, 4-((2S)-2-HYDROXY-3-((1-METHYLETHYL)AMINO)PROPOXY)-, METHYL ESTER, HYDROCHLORIDE (1:1)
Systematic Name English
BENZENEPROPANOIC ACID, 4-(2-HYDROXY-3-((1-METHYLETHYL)AMINO)PROPOXY)-, METHYL ESTER, HYDROCHLORIDE, (S)-
Common Name English
(S)-ESMOLOL HYDROCHLORIDE
Common Name English
Code System Code Type Description
CAS
112923-91-8
Created by admin on Sat Jun 26 12:53:11 UTC 2021 , Edited by admin on Sat Jun 26 12:53:11 UTC 2021
PRIMARY
FDA UNII
FDX80X52FG
Created by admin on Sat Jun 26 12:53:11 UTC 2021 , Edited by admin on Sat Jun 26 12:53:11 UTC 2021
PRIMARY
PUBCHEM
66587026
Created by admin on Sat Jun 26 12:53:11 UTC 2021 , Edited by admin on Sat Jun 26 12:53:11 UTC 2021
PRIMARY
Related Record Type Details
RACEMATE -> ENANTIOMER