Esmolol

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Names

[ CAS No. ]:
81147-92-4

[ Name ]:
Esmolol

[Synonym ]:
methyl 3-(4-{2-hydroxy-3-[(1-methylethyl)amino]propoxy}phenyl)propanoate
methyl 4-[2-hydroxy-3-[(1-methylethyl)amino]-propoxy]benzenepropanoate
5-Isothiazolecarboxylic acid,3-(2-methyl-4-thiazolyl)-,methyl ester
(±)-Methyl 3-[4-[2-Hydroxy-3-(isopropylamino)propoxy]phenyl]propionate
Esmolol
methyl 3-<4-(2-methylthiazolyl)>isothiazole-5-carboxylate
Benzenepropanoic acid, 4-[2-hydroxy-3-[(1-methylethyl)amino]propoxy]-, methyl ester
Methyl 3-{4-[2-hydroxy-3-(isopropylamino)propoxy]phenyl}propanoate
methyl 3-[4-({2-hydroxy-3-[(1-methylethyl)amino]propyl}oxy)phenyl]propanoate
Methyl p-[2-Hydroxy-3-(isopropylamino)propoxy]hydrocinnamate
methyl 3-{4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl}propanoate
UNII:MDY902UXSR
MFCD00864566
methyl 3-<4-<2-hydroxy-3-(isopropylamino)propoxy>phenyl>propionate
4-[2-Hydroxy-3-[(1-methylethyl)amino]propoxy]benzenepropanoic Acid Methyl Ester

Chemical & Physical Properties

[ Density]:
1.1±0.1 g/cm3

[ Boiling Point ]:
430.2±40.0 °C at 760 mmHg

[ Melting Point ]:
48-50ºC

[ Molecular Formula ]:
C16H25NO4

[ Molecular Weight ]:
295.374

[ Flash Point ]:
214.0±27.3 °C

[ Exact Mass ]:
295.178345

[ PSA ]:
67.79000

[ LogP ]:
1.91

[ Vapour Pressure ]:
0.0±1.1 mmHg at 25°C

[ Index of Refraction ]:
1.512

[ Water Solubility ]:
Slightly soluble

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
DA8345500
CHEMICAL NAME :
Benzenepropanoic acid, 4-(2-hydroxy-3-((1-methylethyl)amino)propoxy)-, methyl ester
CAS REGISTRY NUMBER :
81147-92-4
LAST UPDATED :
199612
DATA ITEMS CITED :
2
MOLECULAR FORMULA :
C16-H25-N-O4
MOLECULAR WEIGHT :
295.42

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Intravenous
DOSE :
1200 ug/kg
SEX/DURATION :
female 15 week(s) after conception
TOXIC EFFECTS :
Reproductive - Effects on Embryo or Fetus - other effects to embryo Reproductive - Specific Developmental Abnormalities - cardiovascular (circulatory) system
REFERENCE :
ANESAV Anesthesiology. (Lippincott/Harper, Journal Fulfillment Dept., 2350 Virginia Ave., Hagerstown, MD 21740) V.1- 1940- Volume(issue)/page/year: 71,718,1989
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Intravenous
DOSE :
3 mg/kg
SEX/DURATION :
female 15 week(s) after conception
TOXIC EFFECTS :
Reproductive - Specific Developmental Abnormalities - blood and lymphatic systems (including spleen and marrow)
REFERENCE :
ANESAV Anesthesiology. (Lippincott/Harper, Journal Fulfillment Dept., 2350 Virginia Ave., Hagerstown, MD 21740) V.1- 1940- Volume(issue)/page/year: 71,718,1989

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • Desaminotyrosine
  • Methyl 3-(4-hydroxyphenyl)propionate
  • Benzenepropanoicacid,4-(2-oxiranylmethoxy)-,methylester
  • isopropylamine

DownStream

Related Compounds

  • ESMOLOL
  • esmolol hcl
  • ESMOLOL HCL
  • Esmolol Acid-d7
  • ESMOLOL HYDROCHLORIDE
  • Esmolol Impurity 2 HCl
  • 4-((Cyclohexylamino)methyl)benzoic acid hydrochloride
  • 1-[(2,4-Dichlorophenyl)methyl]-N-(1,1-dimethylethyl)-2-methyl-1H-indole-3-methanamine
  • 2-Methoxy-6-(pyrazol-1-yl)-benzonitrile
  • 1H-3-Benzazepin-7-ol, 8-chloro-2,3,4,5-tetrahydro-5-(3-iodophenyl)-3-methyl-, (S)-
  • (4-Methyl-tetrahydro-furan-2-yl)-methanol
  • N-(1-cyanocyclopentyl)-2-[4-(4-fluorobenzenesulfonyl)-1,4-diazepan-1-yl]acetamide
  • 4,5,6,7-Tetrahydrobenzo[d]isoxazole-3-carbaldehyde
  • tert-Butyl-DL-alanine
  • 4-amino-N-[2-tert-butyl-1-(tetrahydro-2H-pyran-4-ylmethyl)-1H-benzimidazol-5-yl]-N-ethylbenzenesulfonamide
  • N-[3-(Aminooxy)propyl]-N-butyl-1-butanamine