Basic information
- CAS
3131-32-6- Standard SMILES
CS(=O)(=O)O.c1ccc(CN(CC2=NCCN2)c2ccccc2)cc1- InChIKey
PIEHFGHAWYGNCY-UHFFFAOYSA-N- Molecular formula
- C18H23N3O3S
- Average molar mass
- 361.5 g/mol
- Monoisotopic mass
- 361.14601278
Overview
See also: Antazoline (has active moiety).
Names & identifiers
- Preferred name
- Antazoline Mesylate
- IUPAC
- N-benzyl-N-(4,5-dihydro-1H-imidazol-2-ylmethyl)aniline;methanesulfonic acid
- English name
- Antazoline methanesulfonate
- Molecular formula
- C18H20N3O3S-
- Molecular weight
- 358.4347
Names & synonyms
Antazoline mesylate3131-32-6Antazoline methanesulfonateAnalerginAntistine methyl sulfonate2-Phenylbenzylaminomethylimidazoline methanesulfonatePhenazoline methanesulfonateAntazoline methane sulphonateUNII-KU470J7TY6KU470J7TY6NSC 7438NSC-7438
Show more names
antazolinemesylateantistinemethylsulfonateANTAZOLINE METHANSULFONATEantazolinemethanesulfonateantazolinemethanesulphonate2-n-benzylanilinomethylimidazolineAntazoline methanesulfonate saltn-phenyl-n-benzylaminomethylimidazolinemethylsulfonate
ANTAZOLINE MESILATEEINECS 221-523-22-N-Benzyl anilino methyl imidazolineN-Phenyl-N-benzylaminomethyl imidazoline methyl sulfonateNSC7438ANTAZOLINE METHANESULPHONATEANTAZOLINE MESILATE [MART.]ANTAZOLINE MESILATE [WHO-DD]
Database identifiers
- CAS
3131-32-6
Properties
Computed structural properties
- Topological polar surface area
- 90.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 407
Physicochemical properties
- Melting point
- 168 · 168-169 °C
- FDA UNII
- 470 J7TY6 · KU470J7TY6
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H302-H335-H312-H319-H332
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P280-P302+P352-P312-P322-P363-P501-P264-P280-P305+P351+P338-P337+P313P-P261-P271-P304+P340-P312-P264-P270-P301+P312-P330-P501
- Hazard Codes
- Xn
- Risk Statements
- 20 · 20/21/22-36/37/38
- Safety Statements
- 26 · 26-36
- WGK Germany
- 3 · 3
- RTECS
- 6650000 · NI6650000
- Toxicity
- 400 mg/kg · rat,LDLo,subcutaneous,400mg/kg (400mg/kg),BEHAVIORAL: TREMOR,Comptes Rendus des Seances de la Societe de Biologie et de Ses Filiales. Vol. 144, Pg. 887, 1950.
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, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 41 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- wgk
- 3
- rtecs
- NI6650000
- Toxicity
- rat,LDLo,subcutaneous,400mg/kg (400mg/kg),BEHAVIORAL: TREMOR,Comptes Rendus des Seances de la Societe de Biologie et de Ses Filiales. Vol. 144, Pg. 887, 1950.
- risk_code
- 20/21/22-36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn
- safety_code
- 26-36
- Hazard statements
- H315-H302-H335-H312-H319-H332
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P280-P302+P352-P312-P322-P363-P501-P264-P280-P305+P351+P338-P337+P313P-P261-P271-P304+P340-P312-P264-P270-P301+P312-P330-P501
Chemistry & industry
Suppliers5 total
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
BOC Sciences16314854226; +8616314854226 · [email protected]
杭州洁汉化工有限公司+86-571-86217390; +8618058761490 · [email protected]
陕西缔都医药化工有限公司029-029-029-81148696 18161915376 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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