Mebhydrolin
Basic information
- CAS
524-81-2- Standard SMILES
CN1CCc2c(c3ccccc3n2Cc2ccccc2)C1- InChIKey
FQQIIPAOSKSOJM-UHFFFAOYSA-N- Molecular formula
- C19H20N2
- Average molar mass
- 276.4 g/mol
- Monoisotopic mass
- 276.16264865
Overview
Mebhydrolin is a member of indoles.
Names & identifiers
- Preferred name
- Mebhydrolin
- IUPAC
- 5-benzyl-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole
- English name
- 5-Benzyl-2-methyl-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole
- Molecular formula
- C19H20N2
- Molecular weight
- 276.38
Names & synonyms
Mebhydrolin524-81-2MebhydrolineMebhidrolinaMebhydrolinumBexidal5-benzyl-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole9SUK9B7XVYNSC-757830DTXSID50485585-Benzyl-1,3,4,5-tetrahydro-2-methyl-2H-pyrido(4,3-b)indole5-benzyl-2-methyl-3,4-dihydro-1H-pyrido(4,3-b)indole
Show more names
Mebhydrin.Mebhydrolin, 10 mM in DMSON-Methyl-9-benzyltetrahydro-γ-carbolineMebhydrolin,inhibit,Histamine Receptor,Inhibitor3-Benzyl-6-methyl-1,2,3,4-tetrahydro-gamma-carboline5-benzyl-2-methyl-1H,2H,3H,4H,5H-pyrido[4,3-b]indole5-benzyl-1,2,3,4-tetrahydro-2-methylpyrido(4,3-b)indole
mebidrolina5-Benzyl-1,3,4,5-tetrahydro-2-methyl-2H-pyrido[4,3-b]indoleRefChem:156187DTXCID8028187diazolinum (for the napadisilate)R06AX15208-364-45-Benzyl-2-methyl-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole
Database identifiers
- CAS
524-81-2- PubChem CID
- 22530
- DTXSID
DTXSID5048558- ChEMBL
CHEMBL1625607- ChEBI
CHEBI:135144- UNII
- 9SUK9B7XVY
- EC Number
- 208-364-4
- Nikkaji
- J6.642G
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 8.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 349
Physicochemical properties
- Melting point
- 95 ° · 95°
- Boiling point
- 1 · bp1 207-215°
- Density
- 1.0246 · 1.0246 (rough estimate)
- refractive index
- 1.564 · 1.5640 (estimate)
- storage temp.
- -20 °C · Store at -20°C
- solubility
- 83.33 mg/mL · DMSO : 83.33 mg/mL (301.51 mM)
- form
- Solid
- pka
- 2.55 · pKa 2.55 ± 0.18;7.63± 0.04(H2O,t undefined,I=0.30(NaCl)) (Uncertain)
- color
- White to off-white
- FDA UNII
- 9 SUK9B7XVY · 9SUK9B7XVY
- ATC code
- 6 AX15 · R06AX15
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- REACH Registrations
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
This chemical does not meet GHS hazard criteria for 50% (2 of 4) of reports.
Danger
H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 4 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
REACH registered substance: Mebhydrolin (EC: 208-364-4)
1H-Pyrido4,3-bindole, 2,3,4,5-tetrahydro-2-methyl-5-(phenylmethyl)-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesSkin Irrit. 2 (50%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- REACH Registrations
- Active
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Pharmacology
ATC Code
R - Respiratory system
QR - Respiratory system
Mechanism of ActionMebhydrolin is a histamine H1-receptor antagonist.
Metabolite PathwaysMebhydrolin H1-Antihistamine Action
Applications
UsesMebhydrolin is a specific histamine H1 receptor antagonist.
Upstream & downstream products
Upstream raw materials
Additional notes
DefinitionChEBI: Mebhydrolin is a member of indoles.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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