Norcocaine hydrochloride
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Basic information
- CAS
61585-22-6- Standard SMILES
COC(=O)[C@H]1[C@@H](OC(=O)c2ccccc2)C[C@@H]2CC[C@H]1N2.Cl- InChIKey
RIPPXFWUYXTRNJ-BHARVXRSSA-N- Molecular formula
- C16H20ClNO4
- Average molar mass
- 325.79 g/mol
- Monoisotopic mass
- 325.1080858
Names & identifiers
- Preferred name
- Norcocaine hydrochloride
- IUPAC
- methyl (1R,2R,3S,5S)-3-benzoyloxy-8-azabicyclo[3.2.1]octane-2-carboxylate;hydrochloride
- English name
- methyl phenyl 8-azabicyclo[3.2.1]octane-2,3-dicarboxylate
- Molecular formula
- C16H19NO4.ClH
- Molecular weight
- 325.79
Names & synonyms
Norcocaine hydrochloride61585-22-6RefChem:365911Norcocaine.HClNorcocaine (hydrochloride)methyl (1R,2R,3S,5S)-3-benzoyloxy-8-azabicyclo[3.2.1]octane-2-carboxylate;hydrochlorideSCHEMBL1533602DTXSID50977172RIPPXFWUYXTRNJ-BHARVXRSSA-N8-Azabicyclo(3.2.1)octane-2-carboxylic acid, 3-(benzoyloxy)-, methyl ester, hydrochloride, (1R-(exo,exo))-Norcocaine.HCl, 1mg/ml in Acetonitrile (as free base)Norcocaine Hydrochloride 1.0 mg/ml in Acetonitrile (as free base)
Show more names
Norcocaine hydrochloride solutionmethyl phenyl 8-azabicyclo[3.2.1]octane-2,3-dicarboxylate
Methyl 3-(benzoyloxy)-8-azabicyclo[3.2.1]octane-2-carboxylate--hydrogen chloride (1/1)Methyl (1R,2R,3S,5S)-3-(benzoyloxy)-8-azabicyclo[3.2.1]octane-2-carboxylate--hydrogen chloride (1/1)
Database identifiers
- CAS
61585-22-6- PubChem CID
- 3046136
- DTXSID
DTXSID50977172- EC Number
- 111-728-4
Properties
Computed structural propertiesFilling in
- Topological polar surface area
- 64.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 405
Physicochemical properties
- Flash point
- 2 ℃ · 2℃
- storage temp.
- -20 °C · -20°C
- solubility
- 300 mg/ml; · Ethanol: 300 mg/ml; Water: 2.5g/L
- form
- A crystalline solid
- Symbol(GHS)
- 2 · GHS02,GHS06
- Signal word
- Danger
- Hazard statements
- 225 · H225-H302+H312-H319-H331
- Precautionary statements
- 210 · P210-P261-P302+P352+P312-P304+P340+P312-P337+P313-P403+P233
- Hazard Codes
- F,Xn
- Risk Statements
- 11 · 11-20/21/22-36
- Safety Statements
- 16 · 16-26-36/37
- RIDADR
- 1648 · UN 1648 3 / PGII
- WGK Germany
- 2 · 2
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H300+H330 (100%): Fatal if swallowed or if inhaled [Danger Acute toxicity, oral; acute toxicity, inhalation]
P203, P260, P261, P264, P270, P271, P280, P284, P301+P316, P304+P340, P316, P318, P319, P320, P321, P330, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 2 (100%)
Safety data
- wgk
- 2
- ridadr
- UN 1648 3 / PGII
- risk_code
- 11-20/21/22-36
- Signal word
- Danger
- Symbol(GHS)
- GHS02,GHS06
- hazard_code
- F,Xn
- safety_code
- 16-26-36/37
- Hazard statements
- H225-H302+H312-H319-H331
- Precautionary statements
- P210-P261-P302+P352+P312-P304+P340+P312-P337+P313-P403+P233
Chemistry & industry
Applications
UsesA minor metabolite of Cocaine. Controlled substance.
Suppliers
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Related reactions
3 records
Compound notes
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