Homochlorocyclizine hydrochloride
Basic information
- CAS
1982-36-1- Standard SMILES
C[NH+]1CCCN(C(c2ccccc2)c2ccc(Cl)cc2)CC1.[Cl-]- InChIKey
BDIJPBVLZALCFW-UHFFFAOYSA-N- Molecular formula
- C19H24Cl2N2
- Average molar mass
- 351.3 g/mol
- Monoisotopic mass
- 350.1316542
Overview
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Names & identifiers
- Preferred name
- Homochlorocyclizine hydrochloride
- IUPAC
- 1-[(4-chlorophenyl)-phenylmethyl]-4-methyl-1,4-diazepan-4-ium chloride
- English name
- 1-[p-Chlorodiphenylmethyl]-4-methyl-1,4-diazacycloheptane dihydrochloride
- Molecular formula
- C19H25Cl3N2
- Molecular weight
- 387.77
Names & synonyms
Homochlorocyclizine hydrochlorideHomochlorcyclizine HCl1-[(4-chlorophenyl)-phenylmethyl]-4-methyl-1,4-diazepan-4-ium;chloride1H-1,4-Diazepine, 1-(p-chloro-|A-phenylbenzyl)hexahydro-4-methyl-, hydrochloride (7CI, 8CI);1H-1,4-Diazepine, 1-[(4-chlorophenyl)phenylmethyl]hexahydro-4-methyl-, hydrochloride;homochlorcyclizine hydrochloride;Homochlorocyclizine hydrochloride;1H-1,4-Diazepine, 1-[(4-chlorophenyl)phenylMethyl]hexahydro-4-Methyl-, hydrochloride (1:)Nsc169498Homochlorcylizinesa97dihydrochlorideHomochlorcyclizine 2HClHOMOCHLORCYCLIZINE DIHYDROCHLORIDEhomochlorocyclizine,dihydrochloride1-(p-chlorodiphenylmethyl)-4-methyl-1,4-diazacycloheptane4-diazepine,1-(p-chloro-alpha-phenylbenzyl)hexahydro-4-methyl-1-dihydroc
Show more names
1-[p-Chlorodiphenylmethyl]-4-methyl-1,4-diazacycloheptane dihydrochloride4-diazepine,1-(p-chloro-alpha-phenylbenzyl)hexahydro-4-methyl-1h-dihydroch
Properties
Computed structural properties
- Topological polar surface area
- 7.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 321
Physicochemical properties
- Melting point
- 227 · 227-228°
- FDA UNII
- 1 YE3TK8NA · M1YE3TK8NA
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H312-H332
- Precautionary statements
- 280 · P280-P302+P352-P312-P322-P363-P501-P264-P270-P301+P312-P330-P501-P261-P271-P304+P340-P312
- Hazard Codes
- Xn
- Risk Statements
- 20 · 20/21/22
- Safety Statements
- 36 · 36
- WGK Germany
- 3 · 3
- RTECS
- 3675000 · HM3675000
- Toxicity
- 50 · cat,LD50,intraperitoneal,50mg/kg (50mg/kg),BEHAVIORAL: TREMORBEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLDBEHAVIORAL: MUSCLE CONTRACTION OR SPASTICITY),Journal of Allergy. Vol. 31, Pg. 237, 1960.
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- wgk
- 3
- rtecs
- HM3675000
- Toxicity
- cat,LD50,intraperitoneal,50mg/kg (50mg/kg),BEHAVIORAL: TREMORBEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLDBEHAVIORAL: MUSCLE CONTRACTION OR SPASTICITY),Journal of Allergy. Vol. 31, Pg. 237, 1960.
- risk_code
- 20/21/22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn
- safety_code
- 36
- Hazard statements
- H302-H312-H332
- Precautionary statements
- P280-P302+P352-P312-P322-P363-P501-P264-P270-P301+P312-P330-P501-P261-P271-P304+P340-P312
Chemistry & industry
Additional notes
DefinitionChEBI: Homochlorcyclizine hydrochloride is a diarylmethane.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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