N-benzyl-N-(4,5-dihydro-1H-imidazol-2-ylmethyl)aniline;hydron;chloride

HCID 657291

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 2508-72-7
Standard SMILES: [Cl-].[H+].c1ccc(CN(CC2=NCCN2)c2ccccc2)cc1
InChIKey: SWKDMSRRIBZZAY-UHFFFAOYSA-N
Molecular formula: C17H20ClN3
Average molar mass: 301.8 g/mol
Monoisotopic mass: 301.1345753

Overview

See also: Antazoline Hydrochloride (preferred); Antazoline (has active moiety); Antazoline Phosphate (related).

Names & identifiers

Preferred name: N-benzyl-N-(4,5-dihydro-1H-imidazol-2-ylmethyl)aniline;hydron;chloride
IUPAC: N-benzyl-N-(4,5-dihydro-1H-imidazol-2-ylmethyl)aniline;hydron;chloride
English name: Antazoline hydrochloride
Molecular formula: C17H20ClN3
Molecular weight: 301.81

Names & synonyms

SCHEMBL1649651AKOS026749787ANTAZOLINE HCLhistazinefenazolinaAntazolin HclPhenazocine HClAntazoline. HCL forMLABOTEST-BB LT00134672antistinehydrochlorideAntazolin hydrochlorideANTAZOLINE HYDROCHLORIDE

Database identifiers

CAS: 2508-72-7
PubChem CID: 657291

Properties

Computed structural properties

Topological polar surface area: 27.6 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 3
Rotatable bonds: 5
Heavy atoms: 21
Formal charge: 0
Complexity: 314

Physicochemical properties

Melting point: 238 °C · 238 °C
storage temp.: Inert atmosphere,Room Temperature
solubility: DMSO (Slightly, Heated), Methanol (Slightly)
form: Solid
color: White to Off-White
Merck: 14 · 14,680
InChI: 1S/C17H19N3.ClH/c1-3-7-15(8-4-1)13-20(14-17-18-11-12-19-17)16-9-5-2-6-10-16;/h1-10H,11-14H2,(H,18,19);1H
InChIKey: SWKDMSRRIBZZAY-UHFFFAOYSA-N
SMILES: Cl.C1CN=C(CN(Cc2ccccc2)c3ccccc3)N1
CAS DataBase Reference: 2508 · 2508-72-7(CAS DataBase Reference)
FDA UNII: 8 Q8F72JH · FP8Q8F72JH
UNSPSC Code: 41116107 · 41116107
NACRES: 77 · NA.77
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302+H312+H332-H315-H319-H335
Precautionary statements: 261 · P261-P280-P301+P312-P302+P352+P312-P304+P340+P312-P305+P351+P338
target organs: Respiratory system
PPE: 95 · dust mask type N95 (US), Eyeshields, Gloves
Hazard Codes: Xn,Xi
Risk Statements: 20 · 20/21/22-36/37/38
Safety Statements: 26 · 26-36
WGK Germany: 3 · 3
RTECS: 2150000 · NJ2150000
HS Code: 2933.29 · 2933.29.4300
Storage Class: 11 · 11 - Combustible Solids
Hazard Classifications: 4 DermalAcute · Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3

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

PPE: dust mask type N95 (US), Eyeshields, Gloves
wgk: 3
rtecs: NJ2150000
hs_code: 2933.29.4300
risk_code: 20/21/22-36/37/38
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xn,Xi
safety_code: 26-36
Storage Class: 11 - Combustible Solids
target organs: Respiratory system
Hazard statements: H302+H312+H332-H315-H319-H335
Hazard Classifications: Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
Precautionary statements: P261-P280-P301+P312-P302+P352+P312-P304+P340+P312-P305+P351+P338

Chemistry & industry

Applications · 3 items

UsesAntazoline Hydrochloride acts as a histamine H1 receptor blocker, functioning as an antihistamine pharmaceutical.

UsesAntihistaminic;H1 antagonist

UsesImidazoline binding site ligand and an antihistamine

Upstream & downstream products

Upstream raw materials

Suppliers100 total

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

Shandong chuangyingchemical Co., Ltd.18853181302 · [email protected]

合肥翰刚医药科技有限公司+8618062405514 · [email protected]

爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]

Related reactions

0 records

New reaction record

No reaction records under the current filter.

Compound notes

Loading…