Aceclidine Salicylate
Basic information
- CAS
6821-59-6- Standard SMILES
CC(=O)OC1CN2CCC1CC2.O=C(O)c1ccccc1O- InChIKey
RGVBDFIRGIDMNP-UHFFFAOYSA-N- Molecular formula
- C16H21NO5
- Average molar mass
- 307.34 g/mol
- Monoisotopic mass
- 307.14197277
Overview
See also: Aceclidine (has active moiety).
Names & identifiers
- Preferred name
- Aceclidine Salicylate
- IUPAC
- 1-azabicyclo[2.2.2]octan-3-yl acetate;2-hydroxybenzoic acid
- English name
- (4S)-QUINUCLIDIN-3-YL ACETATE 2-HYDROXYBENZOATE
- Molecular formula
- C16H21NO5
- Molecular weight
- 307.35
Names & synonyms
ACECLIDINE SALICYLATE6821-59-6Aceclydine salicylate3-Acetoxyquinuclidine salicylateUNII-MCC2GG434JMCC2GG434J3-Quinuclidinol, acetate (ester), salicylateRefChem:1087452-HYDROXYBENZOIC ACID-1-AZABICYCLO(2.2.2)OCT-3-YL ACETATE (1:1)684-851-91-azabicyclo[2.2.2]octan-3-yl acetate;2-hydroxybenzoic acid(4s)-quinuclidin-3-yl acetate 2-hydroxybenzoate
Show more names
Aceclidine Salicylic AcidAceclidine DL-3-acetoxyquinuclidine salicylate
AceclinGlaucostat;Glacostat;Glaucotat;Glaunorm;Glaudin;2-hydroxybenzoic acid - 1-azabicyclo[2.2.2]oct-3-yl acetate (1:1)2-HYDROXYBENZOIC ACID - 1-AZABICYCLO(2.2.2)OCT-3-YL ACETATE (1:1)
Database identifiers
- CAS
6821-59-6- PubChem CID
- 23260
- DTXSID
DTXSID90987715- UNII
- MCC2GG434J
- EC Number
- 684-851-9
Properties
Computed structural properties
- Topological polar surface area
- 87.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 318
Physicochemical properties
- FDA UNII
- 2 GG434J · MCC2GG434J
- Symbol(GHS)
- 6 · GHS06
- Signal word
- Danger
- Hazard statements
- 301 · H301
- Precautionary statements
- 264 · P264-P270-P301+P310-P321-P330-P405-P501
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
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)
Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 3 (100%)
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS06
- Hazard statements
- H301
- Precautionary statements
- P264-P270-P301+P310-P321-P330-P405-P501
Suppliers
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Related reactions
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Compound notes
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