Thiopropazate hydrochloride
Basic information
- CAS
146-28-1- Standard SMILES
CC(=O)OCCN1CCN(CCCN2c3ccccc3Sc3ccc(Cl)cc32)CC1.Cl.Cl- InChIKey
DRLLEHPFGRESBT-UHFFFAOYSA-N- Molecular formula
- C23H30Cl3N3O2S
- Average molar mass
- 518.9 g/mol
- Monoisotopic mass
- 517.112431
Names & identifiers
- Preferred name
- Thiopropazate hydrochloride
- IUPAC
- 2-[4-[3-(2-chlorophenothiazin-10-yl)propyl]piperazin-1-yl]ethyl acetate;dihydrochloride
- English name
- thiopropazate dihydrochloride
- Molecular formula
- C23H28ClN3O2S.2ClH
- Molecular weight
- 518.934
Names & synonyms
Thiopropazate dihydrochlorideThiopropazate hydrochloride2K5E7BGM8XDTXSID40163249RefChem:189632DTXCID5085740205-666-8146-28-1Thiopropazate hydrochloride [NF]2-[4-[3-(2-chlorophenothiazin-10-yl)propyl]piperazin-1-yl]ethyl acetate,dihydrochlorideDartal dihydrochlorideThiopropazate HCl
Show more names
1-acetoxy-2-{4-[3-(2-chloro-phenothiazin-10-yl)-propyl]-piperazin-1-yl}-ethane
2-[4-[3-(2-chlorophenothiazin-10-yl)propyl]piperazin-1-yl]ethyl acetate dihydrochlorideEINECS 205-666-8UNII-2K5E7BGM8X2-(4-(3-(2-CHLOROPHENOTHIAZIN-10-YL)PROPYL)PIPERAZIN-1-YL)ETHYL ACETATE DIHYDROCHLORIDE2-Chloro-10-(3-(4-(2-acetoxyethyl)piperazinyl)propyl)phenothiazine1-(2-Acetoxyethyl)-4-(3-(2-chloro-10-phenothiazinyl)propyl)piperazine dihydrochlorideSCHEMBL955965CHEMBL3989786
Database identifiers
- CAS
146-28-1- PubChem CID
- 67416
- DTXSID
DTXSID40163249- ChEMBL
CHEMBL3989786- UNII
- 2K5E7BGM8X
- EC Number
- 205-666-8
Properties
Computed structural properties
- Topological polar surface area
- 61.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 561
Physicochemical properties
- Melting point
- 223 · 223-225 °C
- solubility
- DMSO (Slightly), Methanol (Slightly)
- form
- Solid
- color
- White to Off-White
- Stability
- Hygroscopic
- FDA UNII
- 2 K5E7BGM8X · 2K5E7BGM8X
Chemistry & industry
Applications
UsesThiopropazate Dihydrochloride is a typical antipsychotic of the phenothiazine class. It is used in combination with Propantheline Bromide(P760900) and Cimetidine (C441650) in the prevention of stress ulcer formation in rats.
Upstream & downstream products
Upstream raw materials
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