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2-[(2-Butoxyquinoline-4-carbonyl)amino]ethyl-diethylazanium;chloride

HCID 6078
NotesReactions
Basic informationOverviewNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

CAS
61-12-1
Standard SMILES
CCCCOc1cc(C(=O)NCC[NH+](CC)CC)c2ccccc2n1.[Cl-]
InChIKey
IVHBBMHQKZBJEU-UHFFFAOYSA-N
Molecular formula
C20H30ClN3O2
Average molar mass
379.9 g/mol
Monoisotopic mass
379.2026549

Overview

Cinchocaine hydrochloride is the monohydrochloride salt of cinchocaine. It is used in creams, ointments and suppositories for temporary relief of pain and itching associated with skin and anorectal conditions. It contains a cinchocaine.

Names & identifiers

Preferred name
2-[(2-Butoxyquinoline-4-carbonyl)amino]ethyl-diethylazanium;chloride
IUPAC
2-[(2-butoxyquinoline-4-carbonyl)amino]ethyl-diethylazanium chloride
English name
Dibucaine hydrochloride
Molecular formula
C20H30ClN3O2
Molecular weight
379.92

Names & synonyms

AKOS0267498762-[(2-butoxyquinoline-4-carbonyl)amino]ethyl-diethylazanium;chlorideCINCHOCAINE HYDROCHLORIDECINCHOCAINE HCLDIBUCAINE HCLc3225percainsovcainpercainesovcaineCincainepercamins

Database identifiers

CAS
61-12-1
PubChem CID
6078
ChEBI
CHEBI:59735

Properties

Computed structural properties

Topological polar surface area
55.7 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
4
Rotatable bonds
10
Heavy atoms
26
Formal charge
0
Complexity
387

Experimental & physicochemical properties

Animal DrugsPharmaceuticals -> UK Veterinary Medicines Directorate List

Physicochemical properties

Melting point
99 · 99-101 °C(lit.)
Density
1.1338 · 1.1338 (rough estimate)
refractive index
1.54 · 1.5400 (estimate)
storage temp.
Refrigerator
solubility
DMSO (Slightly), Methanol (Slightly)
form
Solid
color
Hygroscopic crystals
PH
pH(20g/l,25℃) : 5.0~6.0
Water Solubility
Freely soluble in water, alcohol, acetone, or chloroform
Merck
13 · 13,3057
Stability
Stable. Incompatible with strong oxidizing agents. Protect from moisture.
Major Application
forensics and toxicologypharmaceutical (small molecule)

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, Faceshields, Gloves
wgk
3
rtecs
GD3325000
hs_code
2933492250
Toxicity
eye-rbt 2% SEV ARZNAD 8,181,58
risk_code
22-41
Signal word
Danger
Symbol(GHS)
GHS05,GHS07
hazard_code
Xn
safety_code
26-39
Storage Class
11 - Combustible Solids
Hazard statements
H302-H318
Precautionary statements
P280-P301+P312+P330-P305+P351+P338+P310

Chemistry & industry

Applications · 3 items

UsesAnesthetic (local).

UsesCinchocaine is used as an anaesthetic agent for spinal anaesthesia; a component in rectal medications used in inflammation of the anus and for the symptomatic treatment of hemorrhoids and fissures in the anus; local anesthetic agent.

UsesDibucaine HCl is an amide-like quinoline derivative and is one of the most potent and longest acting of the commonly used local anesthetics.

Upstream & downstream products

Upstream raw materials

3-Methoxypropionic acidCinchocaineDibutyl ether2-Quinolinol

Suppliers100 total

北京华美互利生物化工010-56205725 · [email protected]
Shanghai Biolang Biotechnology Co., Ltd.+86-15970428662 +86-13397199602 · [email protected]
武汉英诺医药科技有限公司+86-027-59232304 15387063101 · [email protected]
济南诚汇双达生物有限公司053158897070 15550412551 · [email protected]
合肥翰刚医药科技有限公司+8618062405514 · [email protected]
山东雨禾医药科技有限公司15263077727 · [email protected]
上海毕得医药科技股份有限公司

Related reactions

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Compound notes

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On this pageBasic informationOverviewNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
InChI
InChI=1S/C20H29N3O2.ClH/c1-4-7-14-25-19-15-17(16-10-8-9-11-18(16)22-19)20(24)21-12-13-23(5-2)6-3;/h8-11,15H,4-7,12-14H2,1-3H3,(H,21,24);1H
InChIKey
IVHBBMHQKZBJEU-UHFFFAOYSA-N
SMILES
C12C=CC=CC1=NC(OCCCC)=CC=2C(=O)NCCN(CC)CC.Cl
FDA 21 CFR
310.545 · 310.545
CAS DataBase Reference
61 · 61-12-1(CAS DataBase Reference)
FDA UNII
97702 A5DG · Z97702A5DG
UNSPSC Code
41116107 · 41116107
NACRES
24 · NA.24
Symbol(GHS)
5 · GHS05,GHS07
Signal word
Danger
Hazard statements
302 · H302-H318
Precautionary statements
280 · P280-P301+P312+P330-P305+P351+P338+P310
PPE
95 · dust mask type N95 (US), Eyeshields, Faceshields, Gloves
Hazard Codes
Xn
Risk Statements
22 · 22-41
Safety Statements
26 · 26-39
WGK Germany
3 · 3
RTECS
3325000 · GD3325000
HS Code
2933492250 · 2933492250
Storage Class
11 · 11 - Combustible Solids
Toxicity
2 % · eye-rbt 2% SEV ARZNAD 8,181,58
400-1647117 13681763483 · [email protected]
湖北金梭生物科技有限公司00123456789 · [email protected]
普善实业(陕西)有限公司029-81310890 18165209495 · [email protected]
河北展药生物科技有限公司15369953316 +8615369953316 · [email protected]
Baoji Guokang Healthchem co.,ltd+8615604608665 15604608665 · [email protected]
Hebei Yanxi Chemical Co., Ltd.+86-17531190177 · [email protected]
LGM Pharma1-(800)-881-8210 · [email protected]
河北秒变生物科技有限公司17733850068
安耐吉化学&3A(安徽泽升科技有限公司)021-58432009 400-005-6266 · [email protected]
梯希爱(上海)化工贸易有限公司021-61109150 · [email protected]
上海恩诺生物科技有限公司+86 (21) 6435-5022
北京绿百草科技发展有限公司010-61136123 · [email protected]
天津万象恒远科技有限公司15722085254 · [email protected]
MedBio脉铂医药021-69568360 18916172912 · [email protected]
上海景颜化工科技有限公司13817811078 · [email protected]
上海隆盛化工有限公司58099637 13585536065 · [email protected]
云南西力生物技术股份有限公司0871-65217109 · [email protected]
ChemeGen 中国18818260767 · [email protected]
Xiamen AmoyChem Co., Ltd+86-86-5926051114 · [email protected]
斯洋(辽宁)生化制品有限公司+86-15221114306; +86-15221114306 · [email protected]
Hebei Qige Biological Technology Co. Ltd+86 +8618733132031
Wuhan Demeikai Biotechnology Co., Ltd+8618942921723 · [email protected]
斯百全化学(上海)有限公司021-021-021-67601398-809-809-809 15221380277 · [email protected]
山东铭枫医药科技有限公司053155551677 15315114555 · [email protected]
深圳菲斯生物科技有限公司0755-83725681-603
广州爱纯医药科技有限公司020-39119399 18927568969 · [email protected]
南京生利德生物科技有限公司025-57798810 18652991625 · [email protected]
南京世洲生物科技有限公司13675144456 · [email protected]
上海将来实业股份有限公司021-61552785 · [email protected]
常州市卓燊医药化工材料有限公司519-519-85286950 13338194135 · [email protected]
天津普西唐生物医药科技有限公司010-60605840 · [email protected]
上海寰川实业有限公司021-61478794 · [email protected]
上海永叶生物科技有限公司86-021-61559134 15921386130 · [email protected]
广州市慈铭生物科技有限公司020-38082199,29065168,38082986,29878298,29866629,4000192398
上海孚一生物科技有限公司+86 (21) 61124340
凯试(上海)科技有限公司021-50135380 · [email protected]
池州凯隆进出口贸易有限公司[email protected]
重庆朗天制药有限公司023-68980308 · [email protected]
珠海安哲生物科技有限公司13169972583 · [email protected]
TargetMol中国(陶术生物)021-021-33632979 15002134094 · [email protected]
成都赛诺宁科技有限公司28-87999436 02887999436 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
上海皓之翔生物科技有限公司(原上海拓青化工有限公司)526763801 13301653310 · [email protected]
BOC Sciences16314854226; +8616314854226 · [email protected]

Additional notes

DefinitionChEBI: The monohydrochloride salt of cinchocaine. It is used in creams, ointments and suppositories for temporary relief of pain and itching associated with skin and anorectal conditions.