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2-Dimethylaminoethyl-2-methyl-benzhydryl ether citrate

HCID 20846
NotesReactions
Basic informationOverviewNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

CAS
4682-36-4
Standard SMILES
Cc1ccccc1C(OCC[NH+](C)C)c1ccccc1.O=C([O-])CC(O)(CC(=O)O)C(=O)O
InChIKey
MMMNTDFSPSQXJP-UHFFFAOYSA-N
Molecular formula
C24H31NO8
Average molar mass
461.5 g/mol
Monoisotopic mass
461.20496695

Overview

See also: Orphenadrine Citrate (preferred); Orphenadrine (has active moiety); Aspirin; caffeine; orphenadrine citrate (component of).

Names & identifiers

Preferred name
2-Dimethylaminoethyl-2-methyl-benzhydryl ether citrate
IUPAC
3-carboxy-3,5-dihydroxy-5-oxopentanoate;dimethyl-[2-[(2-methylphenyl)-phenylmethoxy]ethyl]azanium
English name
Orphenadrine citrate
Molecular formula
C18H23NO.C6H8O7
Molecular weight
461.51

Names & synonyms

2-Dimethylaminoethyl-2-methyl-benzhydryl ether citrate4724-58-7R-528N,N-Dimethyl-2-((o-methyl-alpha-phenyl-benzyl)oxy)-ethylamine citrateETHYLAMINE, N,N-DIMETHYL-2-((o-METHYL-alpha-PHENYLBENZYL)OXY)-, CITRATEEthanamine, N,N-dimethyl-2-((2-methylphenyl)phenylmethoxy)-, 2-hydroxy-1,2,3-propanetricarboxylateN,N-Dimethyl-2-(o-methyl-alpha-phenylbenzyloxy)ethylamine citrateN,N-Dimethyl-2-[(o-methyl-alpha-phenylbenzyl)oxy]ethanamine/citric acid,(1:x)3-carboxy-3,5-dihydroxy-5-oxopentanoate;dimethyl-[2-[(2-methylphenyl)-phenylmethoxy]ethyl]azaniumX-OtaFlexonX-Otag
Show more names
BanflexBenhexalFlexojectEinecs 225-137-5Orphenadrine citrateORPHENADRINECITRATE,USPOrphenadrine citrate CRS

Properties

Computed structural properties

Topological polar surface area
149 Ų
Hydrogen bond donors
4
Hydrogen bond acceptors
8
Rotatable bonds
10
Heavy atoms
33
Formal charge
0
Complexity
500

Physicochemical properties

Melting point
132 · 132-1340C
storage temp.
2 · Sealed in dry,2-8°C
solubility
Sparingly soluble in water, slightly soluble in ethanol (96 per cent).
form
Solid
color
White to Pale Beige
Major Application
forensics and toxicologypharmaceutical (small molecule)
InChIKey
ASDBZPGDZBFZAH-UHFFFAOYSA-N
SMILES
OC(=O)CC(CC(O)=O)C(O)=O.CN(C)CCOC(c1ccccc1)c2ccccc2C
CAS DataBase Reference
4682 · 4682-36-4(CAS DataBase Reference)
FDA UNII
0 A40N8I4S · X0A40N8I4S
NCI Drug Dictionary
orphenadrine citrate
ATC code
3 BC01 · M03BC01
UNSPSC Code
41116107 · 41116107
NACRES
24 · NA.24
Symbol(GHS)
6 · GHS06
Signal word
Danger

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

wgk
3
ridadr
3249
hs_code
2922190900
risk_code
22-40-20/21/22
Signal word
Danger
Symbol(GHS)
GHS06
hazard_code
Xn,Xi
safety_code
22-36-62-38-36/37/39-28-26-24/25
hazard_class
6.1(b)
Storage Class
6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
packing_group
III
Hazard statements
H301
Hazard Classifications
Acute Tox. 3 Oral
Precautionary statements
P264-P270-P301+P310-P405-P501

Chemistry & industry

Applications · 4 items

Usesskeletal muscle relaxant, antihistaminic agent

UsesA histaminergic compound

UsesMuscle relaxant (skeletal); antihistaminic

General DescriptionOrphenadrine citrate, N,Ndimethyl-2-(o-methyl-α-phenylbenzyloxy)ethylamine citrate(1:1) (Norflex), introduced in 1957, is closely related todiphenhydramine structurally but has much lower antihistaminicactivity and much higher anticholinergic action.Likewise, it lacks the sedative effects characteristic ofdiphenhydramine. Pharmacological testing indicates that itis not primarily a peripherally acting anticholinergic becauseit has only weak effects on smooth muscle, on the eye,and on secretory glands. It does reduce voluntary musclespasm, however, by a central inhibitory action on cerebralmotor areas, a central effect similar to that of atropine.

Upstream & downstream products

Upstream raw materials

Citric acid

Suppliers99 total

阿诺西(上海)生物技术有限公司400-1107768 15058188853 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
南通飞宇生物科技有限公司0513-68819626 15152877458 · [email protected]
成都超九八生物科技有限公司13348960310 13348960310 · [email protected]
艾吉析科技(上海)有限公司17717235263 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]

Related reactions

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Compound notes

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On this pageBasic informationOverviewNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes

Database identifiers

CAS
4682-36-4、4724-58-7
PubChem CID
20846
Hazard statements
301 · H301
Precautionary statements
264 · P264-P270-P301+P310-P405-P501
Hazard Codes
Xn,Xi
Risk Statements
22 · 22-40-20/21/22
Safety Statements
22 · 22-36-62-38-36/37/39-28-26-24/25
RIDADR
3249 · 3249
WGK Germany
3 · 3
HazardClass
6.1 · 6.1(b)
PackingGroup
III
HS Code
2922190900 · 2922190900
Storage Class
6.1 C · 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
Hazard Classifications
3 Oral · Acute Tox. 3 Oral
广州佳途科技股份有限公司81960175-877 18933936954 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
河北展药生物科技有限公司15369953316 +8615369953316 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
Jai Radhe Sales+(91)-(79)-26431096/65255722 · [email protected]
上海将来实业股份有限公司400-0066400 13621662912 · [email protected]
北京华威锐科化工有限公司0757-86329057 18934348241 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
大连美仑生物技术有限公司0411-62910999 13889544652 · [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]
梯希爱(上海)化工贸易有限公司021-61109150 · [email protected]
Guangzhou Dihao Medical Technology Co., Ltd+8618602015453 · [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]
MedChemexpress LLC021-58955995 · [email protected]
合肥天健化工有限公司551-65418679 15856988503;15837135945 · [email protected]
BOC Sciences1-631-485-4226; 16314854226 · [email protected]
ChemeGen 中国18818260767 · [email protected]
斯百全化学(上海)有限公司021-021-021-67601398-809-809-809 15221380277 · [email protected]
AdooQ BioScience, LLC+1 (866) 930-6790 · [email protected]
深圳振强药物研发有限公司0755-66853366 13670046396 · [email protected]
上海陶素生化科技有限公司021-33632979 · [email protected]
上海倍卓生物科技有限公司021-61119791,13386096464 · [email protected]
南京世洲生物科技有限公司13675144456 · [email protected]
上海丽康新材料有限公司+86-16631818819 +86-17736933208 · [email protected]
PT CHEM GROUP LIMITED+86-85511178; +86-85511178 · [email protected]
上海将来实业股份有限公司400-0066400 13621662912 · [email protected]
天津普西唐生物医药科技有限公司010-60605840 · [email protected]
杭州杰恒化工有限公司0571-87396432 · [email protected]
南京百鑫德诺生物科技有限公司025-58849295 · [email protected]
Chongqing jooe co., ltd+86-15223382610 · [email protected]
凯试(上海)科技有限公司021-50135380 · [email protected]
湖北巨胜科技有限公司027-59599241 18871490274 · [email protected]
池州凯隆进出口贸易有限公司[email protected]
AN PharmaTech Co Ltd86(21)68097365 · [email protected]
珠海安哲生物科技有限公司13169972583 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
广东翁江化学试剂有限公司0751-2815987 13927875076 · [email protected]
西安美川生物科技有限公司029-89275612 +8618991951683 · [email protected]
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +86-15355479329 · [email protected]
艾吉析科技(上海)有限公司17717235263 17717235263 · [email protected]
上海珞珐生化科技有限公司021-51111890 15317326293 · [email protected]
广州市齐云生物技术有限公司020-61288194 61288195 · [email protected]

Additional notes

DefinitionChEBI: A citrate salt which comprises equimolar amounts of orphenadrine and citric acid.