Basic information
- CAS
6114-26-7- Standard SMILES
CNC(C)Cc1ccc(O)cc1.CNC(C)Cc1ccc(O)cc1.O=S(=O)(O)O- InChIKey
WUORSSYNZWHFQY-UHFFFAOYSA-N- Molecular formula
- C20H32N2O6S
- Average molar mass
- 428.5 g/mol
- Monoisotopic mass
- 428.19810792
Names & identifiers
- Preferred name
- Pholedrine sulfate
- IUPAC
- bis(4-[2-(methylamino)propyl]phenol);sulfuric acid
- English name
- pholedrine sulphate
- Molecular formula
- C20H32N2O6S
- Molecular weight
- 428.54288
Names & synonyms
Pholedrine sulfatePholedrine sulphatePholedrinium sulfateWB6LNL73BRParedrinolp-Hydroxy-N-methylamphetamine hydrogen sulfatepholedrine sulfate (2:1)Phenol, p-(2-(methylamino)propyl)-, sulfate (2:1) (salt)Phenol, 4-(2-(methylamino)propyl)-, sulfate (2:1) (salt)NSC-96983RefChem:173209228-083-0
Show more names
Paredrinol sulfate6114-26-7Phenol, 4-(2-(methylamino)propyl)-, sulfate (2:1)1-(4-Hydroxyphenyl)-2-methylaminopropane sulfate4-(2-(METHYLAMINO)PROPYL)PHENOL HEMISULFATEEINECS 228-083-0NSC 96983p-(2-Methylaminopropyl)phenol sulfate
Database identifiers
- CAS
6114-26-7- PubChem CID
- 93020
- UNII
- WB6LNL73BR
- EC Number
- 228-083-0
Properties
Computed structural properties
- Topological polar surface area
- 148 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 6
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 200
Physicochemical properties
- FDA UNII
- 6 LNL73BR · WB6LNL73BR
- Symbol(GHS)
- 5 · GHS05,GHS06
- Signal word
- Danger
- Hazard statements
- 335 · H335-H315-H318-H300
- Precautionary statements
- 280 · P280-P305+P351+P338-P310-P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P310-P321-P330-P405-P501
- Toxicity
- 500 mg/kg · LD s.c. in rats: 500 mg/kg (Lindner)
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]
P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 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
- Toxicity
- LD s.c. in rats: 500 mg/kg (Lindner)
- Signal word
- Danger
- Symbol(GHS)
- GHS05,GHS06
- Hazard statements
- H335-H315-H318-H300
- Precautionary statements
- P280-P305+P351+P338-P310-P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P310-P321-P330-P405-P501
Chemistry & industry
Pharmacology
MeSH Pharmacological Classification
A loosely defined group of drugs that tend to increase behavioral alertness, agitation, or excitation. They work by a variety of mechanisms, but usually not by direct excitation of neurons. The many drugs that have such actions as side effects to their main therapeutic use are not included here.
Drugs that mimic the effects of stimulating postganglionic adrenergic sympathetic nerves. Included here are drugs that directly stimulate adrenergic receptors and drugs that act indirectly by provoking the release of adrenergic transmitters.
Upstream & downstream products
Upstream raw materials
Suppliers1 total
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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