Basic information
- CAS
536-93-6- Standard SMILES
CC1CC(OC(=O)C(O)c2ccccc2)CC(C)(C)N1C.Cl- InChIKey
VWENUKHWZBZSLW-UHFFFAOYSA-N- Molecular formula
- C17H26ClNO3
- Average molar mass
- 327.8 g/mol
- Monoisotopic mass
- 327.1601214
Names & identifiers
- Preferred name
- Eucatropine hydrochloride
- IUPAC
- (1,2,2,6-tetramethylpiperidin-4-yl) 2-hydroxy-2-phenylacetate;hydrochloride
- English name
- Eucatropine hydrochloride
- Molecular formula
- C17H26ClNO3
- Molecular weight
- 327.85
Names & synonyms
Eucatropine hydrochloride536-93-6Euphthalmine hydrochlorideDTXSID60458281,2,2,6-Tetramethyl-4-piperidyl mandelate hydrochloride560X8YZ82NNSC-757023DTXCID4025828Eucatropine dl-form hydrochlorideEUCATROPINE DL-FORM HYDROCHLORIDE [MI]4-PIPERIDINOL, 1,2,2,6-TETRAMETHYL-, MANDELATE, HYDROCHLORIDE4-HYDROXY-1,2,2,6-TETRAMETHYLPIPERIDINE MANDELATE HYDROCHLORIDE
Show more names
Einecs 208-653-54-Mandeloyloxy-1,2,2,6-tetramethylpiperidine hydrochloride(+-)-mandelic acid-(1,2,2,6t-tetramethyl-[4r]piperidyl ester)α-hydroxybenzeneacetic acid 1,2,2,6-tetramethyl-4-piperidinyl ester1,2,2,6-Tetramethylpiperidin-4-yl 2-hydroxy-2-phenylacetate hydrochlorideALPHA-HYDROXYBENZENEACETIC ACID 1,2,6-TETRAMETHYL-4-PIPERIDINYL ESTER HYDROCHLORIDEALPHA-HYDROXYBENZENEACETIC ACID 1,2,2,6-TETRAMETHYL-4-PIPERIDINYL ESTER HYDROCHLORIDE
MANDELIC ACID, 1,2,2,6-TETRAMETHYL-4-PIPERIDYL ESTER, HYDROCHLORIDEBenzeneacetic acid, alpha-hydroxy-, 1,2,2,6-tetramethyl-4-piperidinyl ester hydrochlorideBENZENEACETIC ACID, .ALPHA.-HYDROXY-, 1,2,2,6-TETRAMETHYL-4-PIPERIDINYL ESTER HYDROCHLORIDEBENZENEACETIC ACID, .ALPHA.-HYDROXY-, 1,2,2,6-TETRAMETHYL-4-PIPERIDINYL ESTER, HYDROCHLORIDE (1:1)RefChem:596890208-653-5BENZENEACETIC ACID, ALPHA-HYDROXY-, 1,2,2,6-TETRAMETHYL-4-PIPERIDINYL ESTER, HYDROCHLORIDE (1:1)EUCATROPINE HCl
Properties
Computed structural properties
- Topological polar surface area
- 49.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 363
Experimental & physicochemical properties
Collision Cross Section167.2 Ų [M+H]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]
Physicochemical properties
- Melting point
- 183 · 183-184 °C
- FDA UNII
- 560 X8YZ82N · 560X8YZ82N
- Symbol(GHS)
- 6 · GHS06
- Signal word
- Danger
- Hazard statements
- 300 · H300-H310-H330
- Precautionary statements
- 260 · P260-P264-P280-P284-P302+P350-P310
- Hazard Codes
- T+
- Risk Statements
- 26 · 26/27/28
- Safety Statements
- 22 · 22-36/37/39-45
- RIDADR
- 2811 · UN 2811 6.1/PG 3
- WGK Germany
- 3 · 3
- HazardClass
- 6.1 · 6.1(a)
- PackingGroup
- II
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 (100%): Fatal if swallowed [Danger Acute toxicity, oral]
P260, P262, P264, P270, P271, P280, P284, P301+P316, P302+P352, P304+P340, P316, P320, P321, P330, P361+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 2 (100%)
Safety data
- wgk
- 3
- ridadr
- UN 2811 6.1/PG 3
- risk_code
- 26/27/28
- Signal word
- Danger
- Symbol(GHS)
- GHS06
- hazard_code
- T+
- safety_code
- 22-36/37/39-45
- hazard_class
- 6.1(a)
- packing_group
- II
- Hazard statements
- H300-H310-H330
- Precautionary statements
- P260-P264-P280-P284-P302+P350-P310
Chemistry & industry
Applications
UsesAnticholinergic
General DescriptionEucatropine hydrochloride,euphthalmine hydrochloride or 1,2,2,6-tetramethyl-4-piperidyl mandelate hydrochloride, possesses theaminoalcohol moiety characteristic of one of the early localanesthetics (e.g., -eucaine) but differs in the acidic portion ofthe ester by being a mandelate instead of a benzoate. The saltis an odorless, white, granular powder, providing solutionsthat are neutral to litmus. It is very soluble in water, freely solublein alcohol and chloroform, but almost insoluble in ether.
Suppliers7 total
广州佳途科技股份有限公司81960175-877 18933936954 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
上海陶素生化科技有限公司021-33632979 · [email protected]
BOC Sciences16314854226; +8616314854226 · [email protected]
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +86-15355479329 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
陕西缔都医药化工有限公司+86-29-87569266 +86-17392581500 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…