benzoylecgonine

Modify Date: 2025-08-25 16:41:38

benzoylecgonine Structure
benzoylecgonine structure
Common Name benzoylecgonine
CAS Number 519-09-5 Molecular Weight 289.32600
Density 1.29 g/cm3 Boiling Point 442.4ºC at 760 mmHg
Molecular Formula C16H19NO4 Melting Point 195ºC
MSDS USA Flash Point 221.4ºC
Symbol GHS02 GHS06 GHS08
GHS02, GHS06, GHS08
Signal Word Danger

 Names

Name ecgonine benzoate
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.29 g/cm3
Boiling Point 442.4ºC at 760 mmHg
Melting Point 195ºC
Molecular Formula C16H19NO4
Molecular Weight 289.32600
Flash Point 221.4ºC
Exact Mass 289.13100
PSA 66.84000
LogP 1.71720
Index of Refraction 1.599
InChIKey GVGYEFKIHJTNQZ-CLRIEMFWSA-N
SMILES CN1C2CCC1C(C(=O)O)C(OC(=O)c1ccccc1)C2
Storage condition 2-8°C

 Safety Information

Symbol GHS02 GHS06 GHS08
GHS02, GHS06, GHS08
Signal Word Danger
Hazard Statements H225-H301 + H311 + H331-H370
Precautionary Statements P210-P260-P280-P301 + P310-P311
Personal Protective Equipment Eyeshields;Faceshields;full-face respirator (US);Gloves;multi-purpose combination respirator cartridge (US)
Hazard Codes T: Toxic;F: Flammable;
Risk Phrases R11
Safety Phrases 16-36/37-45
RIDADR UN 1230 3
WGK Germany 1
Packaging Group II
Hazard Class 6.1(a)

 Synthetic Route

 Articles32

More Articles
Formation of benzoylecgonine isopropyl ester following solid-phase extraction.

J. Anal. Toxicol. 36(2) , 141-3, (2012)

In forensic toxicology general alkaline drug screens typically utilize liquid liquid [LLE] or solid phase extraction [SPE] sample preparation techniques. It is expected that different drugs will be de...

The effects of benzoylecgonine, oxytocin, ritodrine and atosiban on the contractility of myometrium. An experimental study.

Clin. Exp. Obstet. Gynecol. 39(1) , 36-42, (2012)

To investigate the response of pregnant and non pregnant rat myometrium to benzoylecgonine, a cocaine metabolite, and oxytocin and to investigate the efficiency of ritodrine and atosiban to overcome t...

LC/MS/MS evaluation of cocaine and its metabolites in different brain areas, peripheral organs and plasma in cocaine self-administering rats.

Pharmacol. Rep. 64(6) , 1337-49, (2012)

We employed a cocaine intravenous self-administration model based on positive reinforcement of animals' instrumental reactions (i.e., lever pressing) rewarded by a dose of the drug. We also carried ou...

 benzoylecgonineBioassay

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Name: qHTS assay to identify small molecule antagonists of the androgen receptor (AR) signa...
Source: 824
Target: AR protein [Homo sapiens]
External Id: MDAN535
Name: qHTS for Inhibitors of human tyrosyl-DNA phosphodiesterase 1 (TDP1): qHTS in cells in...
Source: NCGC
Target: TDP1 protein [Homo sapiens]
External Id: TDP1100
Name: qHTS for Inhibitors of human tyrosyl-DNA phosphodiesterase 1 (TDP1): qHTS in cells in...
Source: NCGC
Target: TDP1 protein [Homo sapiens]
External Id: TDP1101
Name: Cytotoxicity counterscreen for inhibitors of SARS-CoV-2 cell entry
Source: NCGC
Target: N/A
External Id: TRND-SARS-CoV-2-cytotox-48hr
Name: qHTS assay for small molecules that induce genotoxicity in human embryonic kidney cel...
Source: 824
Target: RecName: Full=ATPase family AAA domain-containing protein 5; AltName: Full=Chromosome fragility-associated gene 1 protein
External Id: ELG271
Name: Primary qHTS to identify inhibitors of SARS-CoV-2 cell entry
Source: NCGC
External Id: TRND-SARS-CoV-2-PP
Name: qHTS assay to identify small molecule antagonists of the thyroid receptor (TR) signal...
Source: 824
Target: thyroid hormone receptor beta isoform 2 [Rattus norvegicus]
External Id: TRN186
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 Synonyms

Benzoylecogonine
BENZOYLECGONINE
benzoylecgonine methanol solution
Benzoylecgonine tetrahydrate
benzoylecgonine solution
O-Benzoylecgonin
Ecgonine benzoate
Benzoylecognine
benzylecgonine
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