10H-Phenothiazine-10-ethanamine, N,N,beta-trimethyl-, hydrochloride (1:1)
Basic information
- CAS
5568-90-1- Standard SMILES
CC(CN(C)C)N1c2ccccc2Sc2ccccc21.Cl- InChIKey
RISCHQYUHLQSBU-UHFFFAOYSA-N- Molecular formula
- C17H21ClN2S
- Average molar mass
- 320.9 g/mol
- Monoisotopic mass
- 320.1113975
Names & identifiers
- Preferred name
- 10H-Phenothiazine-10-ethanamine, N,N,beta-trimethyl-, hydrochloride (1:1)
- IUPAC
- N,N-dimethyl-2-phenothiazin-10-ylpropan-1-amine;hydrochloride
- English name
- Isopromethazine hydrochloride
- Molecular formula
- C17H21ClN2S
- Molecular weight
- 320.88004
Names & synonyms
5568-90-1Isopromethazine hydrochlorideSNR56923ZU10H-Phenothiazine-10-ethanamine, N,N,beta-trimethyl-, monohydrochlorideRefChem:105729010H-Phenothiazine-10-ethanamine, N,N,beta-trimethyl-, hydrochloride (1:1)Iso Promethazine HydrochlorideN,N-dimethyl-2-phenothiazin-10-ylpropan-1-amine;hydrochlorideDiprazin hydrochlorideN,N-Dimethyl-2-(10H-phenothiazin-10-yl)propan-1-amine hydrochlorideIsopromethazine HClUNII-SNR56923ZU
Show more names
Promethazine Impurity BProMethazine EP IMpurity BISOPROMETHAZINE HCL (FREEZER)Promethazine Impurity 2(EP Impurity B)Promethazine EP Impurity B(hydrochloride)Promethazine Impurity B (Isopromethazine) HClPromethazine EP Impurity B (as Hydrochloride)
(2RS)-N,N-Dimethyl-2-(10H-phenothiazin-10-yl)propan-1-amine Hydrochloride (Isopromethazine Hydrochloride)N-(beta-Dimethylamino-alpha-methylethyl)phenothiazine hydrochloridePhenothiazine, 10-(2-(dimethylamino)-1-methylethyl)-, hydrochloridePromethazine related compound Borb3136929SCHEMBL3712233Promethazine EP Impurity B HClSCHEMBL30722984
Database identifiers
- CAS
5568-90-1- PubChem CID
- 110668
- DTXSID
DTXSID10971030- UNII
- SNR56923ZU
- EC Number
- 642-103-9
Properties
Computed structural properties
- Topological polar surface area
- 31.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 298
Physicochemical properties
- Melting point
- 204 °C · 204 °C
- storage temp.
- Hygroscopic, Refrigerator, Under inert atmosphere
- solubility
- Chloroform (Slightly), Methanol (Slightly), Water (Slightly, Sonicated)
- form
- Solid
- color
- White to Off-White
- Stability
- Hygroscopic
- Major Application
- pharmaceuticalpharmaceutical small molecule
- InChI
- 1S/C17H20N2S.ClH/c1-13(12-18(2)3)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
- RISCHQYUHLQSBU-UHFFFAOYSA-N
- SMILES
- S1c2c(cccc2)N(c3c1cccc3)C(CN(C)C)C.Cl
- FDA UNII
- 56923 ZU · SNR56923ZU
- UNSPSC Code
- 41116107 · 41116107
- NACRES
- 24 · NA.24
- WGK Germany
- 3 · WGK 3
- HS Code
- 2934990002 · 2934990002
- Storage Class
- 11 · 11 - Combustible Solids
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
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Safety data
- wgk
- WGK 3
- hs_code
- 2934990002
- Storage Class
- 11 - Combustible Solids
Chemistry & industry
Applications
UsesIso Promethazine Hydrochloride (Promethazine EP Impurity B) is a Promethazine (P757000) impurity.
UsesPromethazine (P757000) impurity.
Suppliers
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Related reactions
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Compound notes
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