Isothipendyl Hydrochloride
Basic information
- CAS
1225-60-1- Standard SMILES
CC(CN1c2ccccc2Sc2cccnc21)N(C)C.Cl- InChIKey
RQHCFTORMXCNGP-UHFFFAOYSA-N- Molecular formula
- C16H20ClN3S
- Average molar mass
- 321.9 g/mol
- Monoisotopic mass
- 321.1066465
Overview
Isothipendyl hydrochloride is an aromatic amine and a tertiary amino compound.
Names & identifiers
- Preferred name
- Isothipendyl Hydrochloride
- IUPAC
- N,N-dimethyl-1-pyrido[3,2-b][1,4]benzothiazin-10-ylpropan-2-amine;hydrochloride
- English name
- isothipendyl hydrochloride
- Molecular formula
- C16H19N3S.ClH
- Molecular weight
- 321.874
Names & synonyms
isothipendyl hydrochloride1225-60-1AndantolTheruhistinIsothipendyl HClAndantonNilergexDTXSID1046845NSC-169186953AP1LBV8DTXCID902684510H-Pyrido(3,2-b)(1,4)benzothiazine-10-ethanamine, N,N,2-trimethyl-, monohydrochloride
Show more names
NSC 169186α-Isothipendyl Hydrochloridea-Isothipendyl HydrochlorideN,N-dimethyl-1-pyrido[3,2-b][1,4]benzothiazin-10-ylpropan-2-amine hydrochlorideN,N-dimethyl-1-pyrido[3,2-b][1,4]benzothiazin-10-yl-propan-2-amine hydrochloridedimethyl-(1-methyl-2-pyrido[3,2-b][1,4]benzothiazin-10-yl-ethyl)amine hydrochloride1-(10H-Benzo[b]pyrido[2,3-e][1,4]thiazin-10-yl)-N,N-dimethylpropan-2-amine hydrochloride10H-Pyrido3,2-b1,4benzothiazine-10-ethanamine, N,N,.alpha.-trimethyl-, monohydrochloride
RefChem:923819214-957-9AdantolIsothipendyl (hydrochloride)Isothipendyl monohydrochlorideIsothipendyl hydrochloride [JAN]34433-15-310-(2-Dimethylaminopropyl)-10H-pyrido(3,2-b)(1,4)benzothiazine hydrochloride
Database identifiers
- CAS
1225-60-1、34433-15-3- PubChem CID
- 14668
- DTXSID
DTXSID1046845- ChEMBL
CHEMBL2107246- ChEBI
CHEBI:31734- UNII
- 953AP1LBV8
- EC Number
- 214-957-9、252-022-7
Properties
Computed structural properties
- Topological polar surface area
- 44.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 323
Physicochemical properties
- Melting point
- 215 · 215-220 °C
- storage temp.
- Hygroscopic, Refrigerator, under inert atmosphere
- solubility
- DMSO (Slightly, Heated), Methanol (Slightly)
- form
- Solid
- color
- Yellow to Dark Yellow
- Stability
- Hygrscopic
- FDA UNII
- 953 AP1LBV8 · 953AP1LBV8
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501
- Toxicity
- 50 oral · LD50 oral in rat: 1220mg/kg
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)
Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory Information10H-Pyrido3,2-b1,4benzothiazine-10-ethanamine, N,N,.alpha.-trimethyl-, monohydrochloride: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Toxicity
- LD50 oral in rat: 1220mg/kg
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302
- Precautionary statements
- P264-P270-P301+P312-P330-P501
Chemistry & industry
Pharmacology
MeSH Pharmacological ClassificationDrugs that bind to but do not activate histamine receptors, thereby blocking the actions of histamine or histamine agonists. Classical antihistaminics block the histamine H1 receptors only.
Applications
UsesAntihistaminic.
Upstream & downstream products
Upstream raw materials
Additional notes
DefinitionChEBI: Isothipendyl hydrochloride is a tertiary amino compound and an aromatic amine.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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