Basic information
- CAS
57-64-7- Standard SMILES
CNC(=O)Oc1ccc2c(c1)[C@]1(C)CC[NH+](C)[C@@H]1[NH+]2C.O=C([O-])c1ccccc1[O-]- InChIKey
HZOTZTANVBDFOF-PBCQUBLHSA-N- Molecular formula
- C22H27N3O5
- Average molar mass
- 413.5 g/mol
- Monoisotopic mass
- 413.19507097
Overview
See also: (-)-Physostigmine salicylate (preferred).
Names & identifiers
- Preferred name
- CID 5992
- IUPAC
- [(3aR,8bS)-3,4,8b-trimethyl-2,3,3a,4-tetrahydro-1H-pyrrolo[2,3-b]indole-3,4-diium-7-yl] N-methylcarbamate;2-oxidobenzoate
- English name
- PHYSOSTIGMINE SALICYLATE
- Molecular formula
- C22H27N3O5
- Molecular weight
- 413.47
Names & synonyms
AKOS026749799ESERINE SALICYLATEPhysostigmine-d3 salicylatePhysostigmine salicylate (6CI)ar-44tl-1380CCRIS 3405Isopto EserineEINECS 200-343-8physostolsalicylatePhysostigminsalicylat
Database identifiers
- CAS
57-64-7- PubChem CID
- 5992
Properties
Computed structural properties
- Topological polar surface area
- 110 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 530
Physicochemical properties
- Melting point
- 181 · 181-183 °C
- storage temp.
- -20 °C · -20°C
- solubility
- 30 mg/ml,DMSO: · DMF: 30 mg/ml,DMSO: 10 mg/ml,Ethanol: 1 mg/ml,PBS (pH 7.2): 1 mg/ml
- pka
- 1.96 · pKa 1.96/8.08(H2O,t =15) (Uncertain)
- form
- Solid
- color
- White to yellow
- biological source
- synthetic
- optical activity
- 20 · [α]20/D -77±2°, c =1% in ethanol
- Merck
- 7384 · 7384
- BRN
- 3900576 · 3900576
- InChIKey
- HZOTZTANVBDFOF-DPKVYHSMNA-N
- SMILES
- C12C=C(C=CC=1N(C)[C@@]1([H])N(CC[C@@]21C)C)OC(=O)NC.C1(C(=O)O)=CC=CC=C1O |&1:8,13,r|
- CAS DataBase Reference
- 57 · 57-64-7(CAS DataBase Reference)
- FDA UNII
- 2046 ZRO9VU · 2046ZRO9VU
- EPA Substance Registry System
- Physostigmine salicylate (57-64-7)
- UNSPSC Code
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- PPE
- Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- TJ2450000
- ridadr
- UN 1544 6.1/PG 1
- hs_code
- 2939800000
- Toxicity
- LD50 i.p. in mice: 0.64 mg/kg (Sofia, Knabloch)
- risk_code
- 26/28
- Signal word
- Danger
- Symbol(GHS)
- GHS06
- hazard_code
- T+
- safety_code
- 25-45
- hazard_class
- 6.1(a)
- Storage Class
- 6.1A - Combustible acute toxic Cat. 1 and 2very toxic hazardous materials
- packing_group
- II
- Hazard statements
- H300+H330
- Hazard Classifications
- Acute Tox. 2 InhalationAcute Tox. 2 Oral
- Precautionary statements
- P301+P310+P330-P304+P340+P310
Chemistry & industry
Applications
UsesPhysostigmine salicylate (Eserine salicylate) is used as bulk pharmaceuticals (parasympathomimetic, cholinergic, ophthalmic, anti-Alzheimer). Product Data Sheet
Usescholinergic, anticholinesterase, miotic
General DescriptionCrystal form that turns red on exposure to heat or light.
General DescriptionThe salicylate ofphysostigmine (eserine salicylate) may be prepared byneutralizing an ethereal solution of the alkaloid with anethereal solution of salicylic acid. Excess salicylic acid isremoved from the precipitated product by washing itwith ether. The salicylate is less deliquescent than thesulfate.Physostigmine salicylate occurs as a white, shining,odorless crystal or white powder that is soluble in water(1:75), alcohol (1:16), or chloroform (1:6) but much lesssoluble in ether (1:250). On prolonged exposure to air andlight, the crystals turn red. The red may be removed bywashing the crystals with alcohol, although this causes lossof the compound as well. Aqueous solutions are neutral orslightly acidic and take on a red coloration after a period.The coloration may be taken as an index of the loss of activityof physostigmine solutions.
Suppliers78 total
陕西缔都医药有限责任公司029-81124775 17791530730 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
武汉英诺医药科技有限公司+86-027-59232304 15387063101 · [email protected]
武汉敬康恩生物医药科技有限公司13720134139 086-15871494362 13720134139 · [email protected]
艾吉析科技（上海）有限公司17717235263 · [email protected]
咸宁深蓝生物医药研发有限公司18171815831 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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