4-[3-(4-Butoxyphenoxy)propyl]morpholine;hydron;chloride
Basic information
- CAS
637-58-1- Standard SMILES
CCCCOc1ccc(OCCCN2CCOCC2)cc1.[Cl-].[H+]- InChIKey
SYCBXBCPLUFJID-UHFFFAOYSA-N- Molecular formula
- C17H28ClNO3
- Average molar mass
- 329.9 g/mol
- Monoisotopic mass
- 329.1757714
Overview
See also: Pramoxine Hydrochloride (preferred); Hydrocortisone Acetate; Pramoxine Hydrochloride (component of); PRAMOXINE HYDROCHLORIDE; Zinc Acetate (component of) ... View More ...
Names & identifiers
- Preferred name
- 4-[3-(4-Butoxyphenoxy)propyl]morpholine;hydron;chloride
- IUPAC
- 4-[3-(4-butoxyphenoxy)propyl]morpholine;hydron;chloride
- English name
- Pramoxine hydrochloride
- Molecular formula
- C17H28ClNO3
- Molecular weight
- 329.86
Names & synonyms
SCHEMBL4435138AKOS026749901PRAMOXINE HCLPRAMOXINE HCL USPpramocaine hydrochlorideproctofoamPramoxine HCIPramocaine HClPraMoxine HCL APIPramoxine Hcl USP38Pramocaine ImpurityPRAMOXINE HYDROCHLORIDE
Database identifiers
- CAS
637-58-1- PubChem CID
- 657208
Properties
Computed structural properties
- Topological polar surface area
- 30.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 9
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 248
Physicochemical properties
- Melting point
- 181 · 181-183°
- storage temp.
- Inert atmosphere,Room Temperature
- solubility
- Chloroform (Slightly), Methanol (Slightly)
- form
- Solid
- color
- White to Off-White
- Stability
- Hygroscopic
- Major Application
- forensics and toxicologypharmaceutical (small molecule)
- Cosmetics Ingredients Functions
- ANTIOXIDANT
- InChI
- InChI=1S/C17H27NO3.ClH/c1-2-3-12-20-16-5-7-17(8-6-16)21-13-4-9-18-10-14-19-15-11-18;/h5-8H,2-4,9-15H2,1H3;1H
- InChIKey
- SYCBXBCPLUFJID-UHFFFAOYSA-N
- SMILES
- C1(OCCCN2CCOCC2)=CC=C(OCCCC)C=C1.Cl
- LogP
- 3.477 · 3.477 (est)
- CAS DataBase Reference
- 637 · 637-58-1(CAS DataBase Reference)
- EWG's Food Scores
- 1 · 1-3
- FDA UNII
- 88 AYB867L5 · 88AYB867L5
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
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- rtecs
- QD8750000
- hs_code
- 2934990002
- Toxicity
- LD50 i.v. in mice: 79.5 ±2.7 mg/kg (Schmidt); LD50 in mice (mg/kg): 300 i.p., 750 s.c. (Monash, Gibbs)
- risk_code
- 22-36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi,Xn
- safety_code
- 26-36
- Storage Class
- 11 - Combustible Solids
- target organs
- Respiratory system
- Hazard statements
- H302-H315-H319-H335
- Hazard Classifications
- Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
- P261-P264-P270-P301+P312-P302+P352-P305+P351+P338
- Hazardous Substances Data
- 637-58-1(Hazardous Substances Data)
Chemistry & industry
Applications
DescriptionPramoxine, also known as pramocaine, is different from other local anesthetic compounds in chemical structure. Active groups which are carboxylic acid derivatives like ester and amide are not present in this molecule. The drug molecule consists of ether functional groups that are much less active on a chemical level. The presence of the free radical morpholine in this compound is the cause of the reduction of the factor of toxicity and pharmacological activity. In pramoxine, toxicity is reduced but the local anesthetic affect is maintained.
UsesPramoxine Hydrochloride is used as a local anaesthetic and often in anti-itch formulations that provides temporary relief from itching caused by insect bites, minor skin irritations, poison ivy, sunburn and more.
Upstream & downstream products
Upstream raw materials
Additional notes
DefinitionChEBI: Pramoxine hydrochloride is an aromatic ether.
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