Homochlorcyclizine
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Basic information
- CAS
142860-96-6- Standard SMILES
CN1CCCN(C(c2ccccc2)c2ccc(Cl)cc2)CC1- InChIKey
WEUCDJCFJHYFRL-UHFFFAOYSA-N- Molecular formula
- C19H23ClN2
- Average molar mass
- 314.9 g/mol
- Monoisotopic mass
- 314.1549764
Overview
1-[(4-chlorophenyl)-phenylmethyl]-4-methyl-1,4-diazepane is a diarylmethane.
Names & identifiers
- Preferred name
- Homochlorcyclizine
- IUPAC
- 1-[(4-chlorophenyl)-phenylmethyl]-4-methyl-1,4-diazepane
- English name
- (+)-Homochlorcyclizine
- Molecular formula
- C19H23ClN2
- Molecular weight
- 314.85
Names & synonyms
HomochlorcyclizineCurosajinSankuminLysilanWicron848-53-3HomochlorocyclizineOmoclorciclicinaHomochlorcyclizinumDTXSID9045635HomoclorciclizinaSA-97
Show more names
N5MVC31W2NNSC-251321H-1,4-Diazepine, 1-((4-chlorophenyl)phenylmethyl)hexahydro-4-methyl-DTXCID7025635RefChem:788451212-699-1HomoclomineHomorestar
Database identifiers
- CAS
142860-96-6、142860-97-7、848-53-3- PubChem CID
- 3627
- DTXSID
DTXSID9045635- ChEMBL
CHEMBL1515447- ChEBI
CHEBI:91588- UNII
- 6J3C5ABB9E、N5MVC31W2N、S8XST56UYL
- EC Number
- 212-699-1
- Nikkaji
- J7.141B
Properties
Computed structural propertiesFilling in
- XLogP
- 4.2
- Topological polar surface area
- 6.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 321
Physicochemical properties
- Boiling point
- 403.9 · 403.9±45.0 °C(Predicted)
- Density
- 1.122 · 1.122±0.06 g/cm3(Predicted)
- pka
- 9.2 · 9.20±0.10(Predicted)
- FDA UNII
- 6 J3C5ABB9E · 6J3C5ABB9E
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]
P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Chemistry & industry
Pharmacology
Metabolite PathwaysHomochlorcyclizine H1-Antihistamine Action
Uses & manufacturing
General Manufacturing Information1H-1,4-Diazepine, 1-[(4-chlorophenyl)phenylmethyl]hexahydro-4-methyl-: INACTIVE
Additional notes
DefinitionChEBI: 1-[(4-chlorophenyl)-phenylmethyl]-4-methyl-1,4-diazepane is a diarylmethane.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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