BENZOYLECGONINE ETHYL ESTER-D3 (CAS 136765-30-5) — formula C18H23NO4, molecular weight 320.4; category organic chemicals.
| CAS Number | 136765-30-5 |
|---|---|
| Molecular Formula | C18H23NO4 |
| Molecular Weight | 320.4 |
| LogP | 2.7 |
| Category | Organic Chemicals |
BENZOYLECGONINE ETHYL ESTER-D3 is a carbon-based organic compound with CAS registry number 136765-30-5 and molecular formula C18H23NO4 (molecular weight 320.4), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 136765-30-5
Its molecular formula C18H23NO4 comprises 18 C, 23 H, 1 N, 4 O atoms.
Also known as: BENZOYLECGONINE ETHYL ESTER-D3 · 苯甲酰爱康宁乙酯-D3
Category: organic chemicals
The CAS registry number of BENZOYLECGONINE ETHYL ESTER-D3 is 136765-30-5.
Molecular formula C18H23NO4, molecular weight 320.4.
It is also registered under: BENZOYLECGONINE ETHYL ESTER-D3, 苯甲酰爱康宁乙酯-D3.
Category: Organic Chemicals.
Independent reference data for BENZOYLECGONINE ETHYL ESTER-D3 (CAS 136765-30-5), compiled from public chemistry databases.
| CAS Registry Number | 136765-30-5 |
|---|---|
| PubChem CID | 71314968 |
| Molecular formula | C18H23NO4 |
| IUPAC name | ethyl (1R,2R,3S,5S)-3-benzoyloxy-8-(trideuteriomethyl)-8-azabicyclo[3.2.1]octane-2-carboxylate |
| Molecular Weight | 320.4 |
|---|---|
| XLogP3 | 2.7 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 6 |
| Exact Mass | 320.18153845 |
| Monoisotopic Mass | 320.18153845 |
| Topological Polar Surface Area | 55.8 |
| Heavy Atom Count | 23 |
Cocaethylene-d3; 136765-30-5; Cocaethylene-D3; Benzoylethylecgonine-D3; DTXSID901016158; Cocaethylene-D3, 1mg/ml in Acetonitrile; Cocaethylene-D3, 0.1mg/ml in Acetonitrile; Cocaethylene-D3 (Benzoylecgonine ethyl ester-D3); Cocaethylene-D3 (Benzoylethylecgonine-D3) 0.1 mg/ml in Acetonitrile; Ethyl (1R,2R,3S,5S)-3-(benzoyloxy)-8-(~2~H_3_)methyl-8-azabicyclo[3.2.1]octane-2-carboxylate; ethyl (1R,2R,3S,5S)-3-benzoyloxy-8-(trideuteriomethyl)-8-azabicyclo[3.2.1]octane-2-carboxylate
| Reported hazard statements | H301 (100%) |
|---|
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
P264, P270, P301+P316, P321, P330, P405, and P501 (click each P-code to see the statement)
BENZOYLECGONINE ETHYL ESTER-D3 · CAS 136765-30-5 · C18H23NO4.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 苯甲酰爱康宁乙酯-D3