Prothipendyl
Basic information
- CAS
303-69-5- Standard SMILES
CN(C)CCCN1c2ccccc2Sc2cccnc21- InChIKey
JTTAUPUMOLRVRA-UHFFFAOYSA-N- Molecular formula
- C16H19N3S
- Average molar mass
- 285.4 g/mol
- Monoisotopic mass
- 285.12996879
Overview
Prothipendyl is an aromatic amine and a tertiary amino compound.
Names & identifiers
- Preferred name
- Prothipendyl
- IUPAC
- N,N-dimethyl-3-pyrido[3,2-b][1,4]benzothiazin-10-ylpropan-1-amine
- English name
- Prothipendyl
- Molecular formula
- C16H19N3S
- Molecular weight
- 285.413
Names & synonyms
Prothipendyl303-69-5ProtipendiloProthipendylum5O6VWA87VADTXSID50184389RefChem:176655DTXCID10106880N05AX07608-469-9dimethyl(3-(9-thia-2,4-diazatricyclo(8.4.0.0^(3,8))tetradeca-1(14),3(8),4,6,10,12-hexaen-2-yl)propyl)amineLargophren
Show more names
LG-206DominalPhrenotropin10H-Pyrido[3,2-b][1,4]benzothiazine-10-propanamine, N,N-dimethyl-
TimovanTolnateTimovalTumovanLG 206MH 05101D 20610H-Pyrido(3,2-b)(1,4)benzothiazine, 10-(3-(dimethylamino)propyl)-
Database identifiers
- CAS
303-69-5- PubChem CID
- 14670
- DTXSID
DTXSID50184389- ChEMBL
CHEMBL2111030- ChEBI
CHEBI:135182- UNII
- 5O6VWA87VA
- EC Number
- 608-469-9
- Nikkaji
- J5.491G
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 44.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 310
Experimental & physicochemical properties
Drugs
DEA NFLIS-Drug Category -> Depressants and Tranquilizers
Pharmaceuticals -> Listed in ZINC15
Pharmaceuticals
Human DrugsPharmaceuticals
Physicochemical properties
- Melting point
- 25 °C · 25°C
- Boiling point
- 0.7 · bp0.7 217-219°; bp0.5 195-198°
- Density
- 1.1618 · 1.1618 (rough estimate)
- refractive index
- 1.5605 · 1.5605 (estimate)
- pka
- 9.37 · 9.37±0.28(Predicted)
- FDA UNII
- 5 O6VWA87VA · 5O6VWA87VA
- ATC code
- 5 AX07 · N05AX07
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501
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 38 reports by companies from 2 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory InformationREACH registered substance: Prothipendyl (EC: 608-469-9)
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Toxicity
- LD50 oral in mouse: 415mg/kg
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302
- REACH Registrations
- Active
- Precautionary statements
- P264-P270-P301+P312-P330-P501
Chemistry & industry
Pharmacology
ATC Code
N05AX07
N - Nervous system
QN - Nervous system
Uses & manufacturing
UsesUse (kg; approx.) in Germany (2009): >750
Use ClassificationPharmaceuticals
Additional notes
DefinitionChEBI: Prothipendyl 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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