Ethyl (1R,2R)-2-(methylamino)-1-phenylcyclohex-3-ene-1-carboxylate hydrochloride
Basic information
- CAS
1217648-75-3- Standard SMILES
CCOC(=O)[C@]1(c2ccccc2)CCC=C[C@H]1NC.Cl- InChIKey
REPHWVDUMWCCKC-XMZRARIVSA-N- Molecular formula
- C16H22ClNO2
- Average molar mass
- 295.8 g/mol
- Monoisotopic mass
- 295.1339066
Names & identifiers
- Preferred name
- Ethyl (1R,2R)-2-(methylamino)-1-phenylcyclohex-3-ene-1-carboxylate hydrochloride
- IUPAC
- ethyl (1S,2R)-2-(methylamino)-1-phenylcyclohex-3-ene-1-carboxylate;hydrochloride
- English name
- Nortilidine Hydrochloride
- Molecular formula
- C16H21NO2.ClH
- Molecular weight
- 295.8
Names & synonyms
34596-11-7RefChem:592880ETHYL (1R,2R)-2-(METHYLAMINO)-1-PHENYLCYCLOHEX-3-ENE-1-CARBOXYLATE HYDROCHLORIDE642-936-8Ethyl trans-(+)-2-(methylamino)-1-phenyl-3-cyclohexene-1-carboxylate hydrochloride37815-45-53-Cyclohexene-1-carboxylic acid, 2-(methylamino)-1-phenyl-, ethyl ester, monohydrochloride, trans-(+)-Nortilidine hydrochlorideethyl (1S,2R)-2-(methylamino)-1-phenylcyclohex-3-ene-1-carboxylate;hydrochloride(+)-Nortilidine, monohydrochlorideNortilidine HCl1435779-55-7
Show more names
Nortilidine hydrochloride solutionNortilidine Hydrochloride 1.0 mg/ml in Methanol (as free base)Tilidine Hydrochloride Hemihydrate Impurity C as HydrochlorideTilidine Hydrochloride Hemihydrate EP Impurity C as Hydrochloride2-Methylamino-1-phenyl-cyclohex-3-enecarboxylic Acid Ethyl Ester HydrochlorideEthyl (1RS,2SR)-2-(methylamino)-1-phenylcyclohex-3-enecarboxylate Hydrochloridetrans-2-MethylaMino-1-phenyl-3-cyclohexene-1-carboxylic Acid Ethyl Ester HydrochlorideEthyl (1RS,2SR)-2-(Methylamino)-1-phenylcyclohex-3-enecarboxylate Hydrochloride (Nortilidine HydrochEthyl (1RS,2SR)-2-(Methylamino)-1-phenylcyclohex-3-enecarboxylate Hydrochloride (Nortilidine Hydrochloride)
(+)-3R-N-Monomethylamino-4c-phenyl-4t-ethoxycarbonylcyclohexene-1, hydrochlorideDTXSID701912571217648-75-3DB-243471Ethyl (1s,2r)-2-methylamino-1-phenylcyclohex-3-ene-1-carboxylate hydrochlorideEthyl (1S,6R)-6-(methylamino)-3,6-dihydro[1,1'-biphenyl]-1(2H)-carboxylate--hydrogen chloride (1/1)Nortilidine hydrochloride, 1.0 mg/mL in methanol (as free base), ampule of 1 mL, certified reference material
Database identifiers
- CAS
1217648-75-3、34596-11-7、37815-45-5- PubChem CID
- 216867
- DTXSID
DTXSID70191257- EC Number
- 642-936-8
Properties
Computed structural properties
- Topological polar surface area
- 38.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 334
Physicochemical properties
- Melting point
- 213 · 213-215C
- Flash point
- 9 ℃ · 9℃
- storage temp.
- Refrigerator
- solubility
- Methanol (Slightly), Water (Slightly)
- form
- Solid
- color
- White to Off-White
- Symbol(GHS)
- 2 · GHS02,GHS06,GHS08
- Signal word
- Danger
- Hazard statements
- 225 · H225-H301+H311+H331-H370
- Precautionary statements
- 210 · P210-P233-P280-P301+P310-P303+P361+P353-P304+P340+P311
- Hazard Codes
- F,T
- Risk Statements
- 11 · 11-23/24/25-39/23/24/25
- Safety Statements
- 16 · 16-36/37-45
- RIDADR
- 1230 · UN1230 - class 3 - PG 2 - Methanol, solution
- WGK Germany
- 1 · 1
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
H302 (97.6%): Harmful if swallowed [Warning Acute toxicity, oral]
P233, P260, P261, P264, P270, P271, P284, P301+P317, P304+P340, P319, P330, P342+P316, P403, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 41 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Hazard information
Hazard Classes and Categories
Acute Tox. 4 (97.6%)
Acute Tox. 4 (100%)
Safety data
- wgk
- 1
- ridadr
- UN1230 - class 3 - PG 2 - Methanol, solution
- risk_code
- 11-23/24/25-39/23/24/25
- Signal word
- Danger
- Symbol(GHS)
- GHS02,GHS06,GHS08
- hazard_code
- F,T
- safety_code
- 16-36/37-45
- Hazard statements
- H225-H301+H311+H331-H370
- Precautionary statements
- P210-P233-P280-P301+P310-P303+P361+P353-P304+P340+P311
Chemistry & industry
Applications
UsesReceptor antagonist
UsesThe active metabolite of Tilidine. nknown.
Suppliers
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Related reactions
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Compound notes
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