Basic information
- CAS
55-45-8- Standard SMILES
C[N+](C)(C)CC#CCOC([O-])=Nc1cccc(Cl)c1.Cl- InChIKey
CXFZFEJJLNLOTA-UHFFFAOYSA-N- Molecular formula
- C14H18Cl2N2O2
- Average molar mass
- 317.2 g/mol
- Monoisotopic mass
- 316.0745332
Overview
See other relationships...
Names & identifiers
- Preferred name
- 4-[(3-Chlorophenyl)carbamoyloxy]but-2-ynyl-trimethyl-ammonium;chloride
- IUPAC
- N-(3-chlorophenyl)-1-[4-(trimethylazaniumyl)but-2-ynoxy]methanimidate;hydrochloride
- English name
- 4-(N-[3-Chlorophenyl]-carbamoyloxy)-2-butynyltrimethylammonium chloride
- Molecular formula
- C14H18Cl2N2O2
- Molecular weight
- 317.21
Names & synonyms
MFCD000550684-[(3-chlorophenyl)carbamoyloxy]but-2-ynyl-trimethyl-ammonium;chloridea343MCN A-343McNeil-A343mcna-343chlorideMcN A 343,McNA 3434-(N-(3-chlorophenyl)carbamoyloxy)-2-*butynyltrim4-(N-(3-CHLOROPHENYL)CARBAMOYLOXY)-2-BUT YNYLTRIMET(4-(m-chlorophenylcarbamoyloxy)-2-butynyl)trimethylammoniumchloride4-[(3-chlorophenyl)carbamoyloxy]but-2-ynyl-trimethylazanium chloridem-chloro-carbanilicaciesterwith(4-hydroxy-2-butynyl)trimethylammonium
Database identifiers
- CAS
55-45-8- PubChem CID
- 175647747
Properties
Computed structural properties
- Topological polar surface area
- 44.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 376
Physicochemical properties
- storage temp.
- Desiccate at RT
- solubility
- 2 O: · H2O: soluble
- form
- powder
- color
- white
- Water Solubility
- 100 mM · Soluble to 100 mM in water
- InChI
- 1S/C14H17ClN2O2.ClH/c1-17(2,3)9-4-5-10-19-14(18)16-13-8-6-7-12(15)11-13;/h6-8,11H,9-10H2,1-3H3;1H
- InChIKey
- CXFZFEJJLNLOTA-UHFFFAOYSA-N
- SMILES
- [Cl-].C[N+](C)(C)CC#CCOC(=O)Nc1cccc(Cl)c1
- FDA UNII
- 55 R761RE · CW55R761RE
- UNSPSC Code
- 12352106 · 12352106
- NACRES
- 77 · NA.77
- Symbol(GHS)
- 5 · GHS05,GHS07
- Signal word
- Danger
- PPE
- 95 · Eyeshields, Gloves, type N95 (US)
- Safety Statements
- 24 · 24/25
- WGK Germany
- 3 · 3
- RTECS
- 318000 · BR0318000
- Storage Class
- 11 · 11 - Combustible Solids
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
- Eyeshields, Gloves, type N95 (US)
- wgk
- 3
- rtecs
- BR0318000
- Signal word
- Danger
- Symbol(GHS)
- GHS05,GHS07
- safety_code
- 24/25
- Storage Class
- 11 - Combustible Solids
Chemistry & industry
Applications
UsesMcN-A-343 is a selective agonist of mAChR M1.
Suppliers23 total
陕西缔都医药有限责任公司029-81124775 17791530730 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
武汉易泰科技有限公司上海分公司18930552037 · [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]
MedBio脉铂医药021-69568360 18916172912 · [email protected]
銳迪國際科技有限公司18024082417 · [email protected]
北京博奥森生物技术有限公司400-901-9800 18611424007 · [email protected]
BOC Sciences1-631-485-4226; 16314854226 · [email protected]
天津普西唐生物医药科技有限公司010-60605840 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
上海阿拉丁生化科技股份有限公司6206333 13167063860 · [email protected]
风咏生物（AbMole）021-10000000 13000000000 · [email protected]
EMMX Biotechnology LLC888-539-0666 · [email protected]
陕西缔都医药化工有限公司+86-29-81139210 +86-17392587031 · [email protected]
上海一飞生物科技有限公司021-65675885 18964387627 · [email protected]
上海源叶生物科技有限公司18916372613 · [email protected]
上海超岚化工科技中心QQ：65489617 13301690235 · [email protected]
Aladdin Scientific[email protected]
TargetMol中国（陶术生物）4008200310 15002144251 · [email protected]
ChemeGen 中国18818260767 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 18651614124 · [email protected]
上海阿摩尔生物科技有限公司13370042665 18916960931 · [email protected]
常州辰鸿生物科技有限公司+86-0519-85788828 +86-13775037613 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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