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Details

Stereochemistry ABSOLUTE
Molecular Formula C16H25NO4
Molecular Weight 295.374
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

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

SMILES

COC(=O)CCC1=CC=C(OC[C@@H](O)CNC(C)C)C=C1

InChI

InChIKey=AQNDDEOPVVGCPG-AWEZNQCLSA-N
InChI=1S/C16H25NO4/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/t14-/m0/s1

HIDE SMILES / InChI

Molecular Formula C16H25NO4
Molecular Weight 295.374
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 01:55:04 UTC 2023
Edited
by admin
on Sat Dec 16 01:55:04 UTC 2023
Record UNII
47278SZ38U
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ESMOLOL, (S)-
Common Name English
(S)-ESMOLOL
Common Name English
BENZENEPROPANOIC ACID, 4-(2-HYDROXY-3-((1-METHYLETHYL)AMINO)PROPOXY)-, METHYL ESTER, (S)-
Common Name English
(-)-ESMOLOL
Common Name English
BENZENEPROPANOIC ACID, 4-((2S)-2-HYDROXY-3-((1-METHYLETHYL)AMINO)PROPOXY)-, METHYL ESTER
Systematic Name English
Code System Code Type Description
FDA UNII
47278SZ38U
Created by admin on Sat Dec 16 01:55:04 UTC 2023 , Edited by admin on Sat Dec 16 01:55:04 UTC 2023
PRIMARY
PUBCHEM
28125476
Created by admin on Sat Dec 16 01:55:04 UTC 2023 , Edited by admin on Sat Dec 16 01:55:04 UTC 2023
PRIMARY
CAS
115729-56-1
Created by admin on Sat Dec 16 01:55:04 UTC 2023 , Edited by admin on Sat Dec 16 01:55:04 UTC 2023
PRIMARY
Related Record Type Details
RACEMATE -> ENANTIOMER