Basic information
- CAS
58-33-3- Standard SMILES
CC(CN1c2ccccc2Sc2ccccc21)N(C)C.[Cl-].[H+]- InChIKey
XXPDBLUZJRXNNZ-UHFFFAOYSA-N- Molecular formula
- C17H21ClN2S
- Average molar mass
- 320.9 g/mol
- Monoisotopic mass
- 320.1113975
Overview
See also: Promethazine Hydrochloride (preferred); Promethazine (has active moiety); Codeine Phosphate; Promethazine Hydrochloride (component of) ... View More ...
Names & identifiers
- Preferred name
- CID 657263
- IUPAC
- N,N-dimethyl-1-phenothiazin-10-ylpropan-2-amine;hydron;chloride
- English name
- Promethazine hydrochloride
- Molecular formula
- C17H21ClN2S
- Molecular weight
- 320.88
Names & synonyms
SCHEMBL717498SCHEMBL29362589AKOS015914197PROMETHAZINE HCLPhenaPHENERGANremsedpromineN,N-Dimethyl-1-(10H-phenothiazin-10-yl)propan-2-amine hydrochloridedormeatosilhl8700
Show more names
ganphen
Database identifiers
- CAS
58-33-3- PubChem CID
- 657263
Properties
Computed structural properties
- Topological polar surface area
- 31.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 298
Physicochemical properties
- Melting point
- 230 · 230-232°C
- Flash point
- 9 ℃ · 9℃
- storage temp.
- 2 · 2-8°C
- solubility
- Very soluble in water, freely soluble in ethanol (96 per cent) and in methylene chloride.
- form
- Solid
- color
- White to Almost white
- PH
- pH (50g/L, 25℃) : 4.0～6.0
- Odor
- Odorless
- λmax
- 297 nm · 297nm(H2O)(lit.)
- Merck
- 14 · 14,7786
- BRN
- 4166397 · 4166397
- BCS Class
- 1 · 1,3
- Major Application
- pharmaceutical (small molecule)
- InChI
- InChI=1S/C17H20N2S.ClH/c1-13(18(2)3)12-19-14-8-4-6-10-16(14)20-17-11-7-5-9-15(17)19;/h4-11,13H,12H2,1-3H3;1H
- InChIKey
- XXPDBLUZJRXNNZ-UHFFFAOYSA-N
- SMILES
- N1(CC(C)N(C)C)C2C=CC=CC=2SC2=CC=CC=C12.Cl
- Toxicology and Carcinogenesis
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
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- SO8225000
- ridadr
- UN 2811 6.1/PG 3
- hs_code
- 29343000
- Toxicity
- LD50 i.v. in mice: 55.0 mg/kg (Rajsner)
- risk_code
- 22-36/37/38-51/53-43-20/22
- Signal word
- Danger
- Symbol(GHS)
- GHS05,GHS07,GHS09
- hazard_code
- Xn,N
- safety_code
- 26-36-61-60-36/37/39-28-22
- hazard_class
- 6.1(b)
- Storage Class
- 11 - Combustible Solids
- packing_group
- III
- Hazard statements
- H302-H317-H318-H411
- Hazard Classifications
- Acute Tox. 4 OralAquatic Chronic 2Eye Dam. 1Skin Sens. 1
- Precautionary statements
- P261-P273-P280-P301+P312-P302+P352-P305+P351+P338
Chemistry & industry
Applications
UsesAntihistaminic, antiemetic, CNS depressant
Usesstool softener
UsesFor the treatment of allergic disorders, and nausea/vomiting.
UsesPromethazine is a first generation histamine H1 receptor antagonist (Ki = 2.6 nM) whose antihistamine activity has been reported in guinea pigs and mice at ED50 values of 0.43 and 5.9 mg/kg, respectively. Promethazine can penetrate the CNS, depressing central H1 receptor activity, which may relate to its sedative properties, and can also inhibit muscarinic acetylcholine receptors (Ki = 22 nM). Furthermore, 32 mg/kg promethazine demonstrates antiemetic effects in ferret models of motion sickness or chemotherapy-induced nausea.
UsesPromethazine hydrochloride is used as antihistamine; antiemetic; central nervous system depressant; sedative; anticholinergic; antiserotoninergic; local anesthetic; in the treatment of motion sickness, cough linctuses, nausea, and allergic conditions; used to control Parkinsonian symptoms and as central nervous system depressant; in pills, syrup, injections and suppositories.
General DescriptionOdorless white to faint yellow crystalline powder. Bitter taste. A 10% solution in water has a pH of 3.5-5.0.
General DescriptionPromethazine hydrochloride,(±)10-[2-(dimethylamino)-propyl]phenothiazinemonohydrochloride (Phenergan), occurs as a white tofaint yellow crystalline powder that is very soluble in water,in hot absolute alcohol, and in chloroform. Its aqueous solutionsare slightly acid to litmus.
Upstream & downstream products
Upstream raw materials
Suppliers100 total
国药集团化学试剂有限公司86-21-63210123 · [email protected]
Related reactions
0 records
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Compound notes
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