Basic information
- CAS
244218-51-7- Standard SMILES
CCc1ccc(OCc2ccccc2C(=O)Nc2ccc3nc(C)cc(N)c3c2)cc1.Cl- InChIKey
NQLIYKXNAXKMBL-UHFFFAOYSA-N- Molecular formula
- C26H26ClN3O2
- Average molar mass
- 448 g/mol
- Monoisotopic mass
- 447.17135475
Names & identifiers
- Preferred name
- Jtc-801
- IUPAC
- N-(4-amino-2-methylquinolin-6-yl)-2-[(4-ethylphenoxy)methyl]benzamide;hydrochloride
- English name
- JTC 801
- Molecular formula
- C26H25N3O2.ClH
- Molecular weight
- 447.963
Names & synonyms
JTC-801244218-51-7JTC 801JTC8017I21WLZ2FPDTXSID10415525Benzamide, N-(4-amino-2-methyl-6-quinolinyl)-2-((4-ethylphenoxy)methyl)-, hydrochloride (1:1)Benzamide, N-(4-amino-2-methyl-6-quinolinyl)-2-((4-ethylphenoxy)methyl)-, monohydrochlorideRefChem:150581DTXCID00366375N-(4-amino-2-methylquinolin-6-yl)-2-((4-ethylphenoxy)methyl)benzamideJTC-801 HCl
Show more names
CS-161JTC 801 HClJTC-801/JTC801JTC 801 USP/EP/BPJTC-801 >=98% (HPLC)JTC-801 hydrochlorideJTC-801, 10 mM in DMSON-(4-Amino-2-methyl-6-quinolinyl)-2-[(4-ethylphenoxy)methyl]benzamidehydrochlorideN-(4-AMino-2-Methyl-quinolin-6-yl)-2-(4-ethyl-phenoxyMethyl)-benzaMide hydrochloride
N-(4-amino-2-methylquinolin-6-yl)-2-((4-ethylphenoxy)methyl)benzamide hydrochlorideMFCD06198707N-(4-Amino-2-methyl-6-quinolinyl)-2-[(4-ethylphenoxy)methyl]benzamide hydrochlorideTCMDC-125882N-(4-amino-2-methylquinolin-6-yl)-2-[(4-ethylphenoxy)methyl]benzamide;hydrochlorideN-(4-amino-2-methylquinolin-6-yl)-2-[(4-ethylphenoxy)methyl]benzamide hydrochlorideUNII-7I21WLZ2FP244218-51-7 (free base).
Properties
Computed structural properties
- Topological polar surface area
- 77.2 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 577
Physicochemical properties
- Melting point
- 235 ℃ · 235℃
- storage temp.
- 2 · Inert atmosphere,2-8°C
- solubility
- 20 mg/mL · DMSO: ≥20mg/mL
- form
- powder
- color
- tan
- InChI
- 1S/C26H25N3O2.ClH/c1-3-18-8-11-21(12-9-18)31-16-19-6-4-5-7-22(19)26(30)29-20-10-13-25-23(15-20)24(27)14-17(2)28-25;/h4-15H,3,16H2,1-2H3,(H2,27,28)(H,29,30);1H
- InChIKey
- NQLIYKXNAXKMBL-UHFFFAOYSA-N
- SMILES
- C(=O)(C1C=CC=CC=1COC1C=CC(CC)=CC=1)NC1C=CC2=NC(C)=CC(N)=C2C=1.Cl
- FDA UNII
- 7 I21WLZ2FP · 7I21WLZ2FP
- UNSPSC Code
- 12352200 · 12352200
- NACRES
- 77 · NA.77
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313
- Hazard Codes
- Xi
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
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
P264+P265, P280, P305+P351+P338, and P337+P317 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesEye Irrit. 2 (100%)
Safety data
- wgk
- 1
- risk_code
- 36
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H319
- Hazard Classifications
- Eye Irrit. 2
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313
Chemistry & industry
Applications
UsesJTC 801 is a novel opioid receptor-like1 (ORL1) receptor antagonist.
Suppliers87 total
陕西缔都医药有限责任公司029-81124775 17791530730 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
武汉英诺医药科技有限公司+86-027-59232304 15387063101 · [email protected]
武汉敬康恩生物医药科技有限公司13720134139 086-15871494362 13720134139 · [email protected]
杭州品高化工有限公司0571-87658025 · [email protected]
T&W GROUP021-61551611 13296011611 · [email protected]
湖北科乐精细化工有限公司027-59101668 19945030958 · [email protected]
武汉易泰科技有限公司上海分公司18930552037 · [email protected]
上海波以尔化工有限公司[email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
China Kouting Group Limited+86 (21) 5811-6473 5811-6475 · [email protected]
InvivoChem中国13549236410 · [email protected]
Related reactions
2 records
Compound notes
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