Orphenadrine citrate structure, CAS 4682-36-4

Orphenadrine citrate

CAS Number4682-36-4

SynonymsOrphenadrine Citrate; Orphenadrine Citrate Salt; MFCD00079197; EINECS 225-137-5

Molecular FormulaC24H31NO8

Molecular Weight461.50

Purity98.00%

Density1.014 g/cm3

Boiling Point363ºC at 760 mmHg

Melting Point132-134ºC

Flash Point

AppearanceWhite or nearly white, crystalline powder

EINECS225-137-5

MSDSChineseEnglish

Symbol6.1(b)

Signal WordWarning

Cat. No.: 2A-9031112 Purity: 98.00%
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Quality Control of [ 4682-36-4 ] Purity: 98.00% SDS Specification MoL

Chemical & Physical Properties
CAS Number4682-36-4
Catalog No.2A-9031112
Chinese Name枸櫞酸奧芬那君
SynonymsOrphenadrine Citrate; Orphenadrine Citrate Salt; MFCD00079197; EINECS 225-137-5
Molecular FormulaC24H31NO8
Molecular Weight461.50
Purity98.00
Density1.014 g/cm3
Boiling Point363ºC at 760 mmHg
Melting Point132-134ºC
AppearanceWhite or nearly white, crystalline powder
Storage Condition2-8°C
PackagingIII
ApplicationOrphenadrine citrate is an NMDA receptor antagonist with a Ki of 6.0 μM and a HERG potassium channel blocker.
EINECS225-137-5
PubChem ID329823606
MDL NumberMFCD00079197
SMILESOC(=O)CC(CC(O)=O)C(O)=O.CN(C)CCOC(c1ccccc1)c2ccccc2C
InChI1S/C18H23NO.C6H8O6/c1-15-9-7-8-12-17(15)18(20-14-13-19(2)3)16-10-5-4-6-11-16;7-4(8)1-3(6(11)12)2-5(9)10/h4-12,18H,13-14H2,1-3H3;3H,1-2H2,(H,7,8)(H,9,10)(H,11,12)
InChI KeyXLSFUJUURNFSCL-UHFFFAOYSA-N
NACRES CodeNA.24
UNSPSC41116107
Hazard Symbols6.1(b)
MSDSmsds/31112_1_4682_36_4.pdf
BioactivityOrphenadrine citrate is a NMDA receptor antagonist with Ki of 6.0 ± 0.7 μM, HERG potassium channel blocker.Target: NMDA ReceptorOrphenadrine has been used as an antiparkinsonian, antispastic and analgesic drug. Orphenadrine inhibits [3H]MK-801 binding to the phencyclidine (PCP) binding site of the N-methyl-D-aspartate (NMDA)-receptor in homogenates of postmortem human frontal cortex with a Ki-value of 6.0 ± 0.7 microM. The NMDA receptor antagonistic effects of orphenadrine were assessed using concentration- and patch-clamp techniques on cultured superior colliculus neurones. Orphenadrine blocked open NMDA receptor channels with fast kinetics and in a strongly voltage-dependent manner. The IC50-value against steady state currents at -70 mV was 16.2 ± 1.6 microM (n = 6). Orphenadrine exhibited relatively fast, concentration-dependent open channel blocking kinetics (Kon 0.013 ± 0.002 10(6) M-1S-1) whereas the offset rate was concentration-independent (Koff 0.230 ± 0.004 S-1) [1]. Orphenadrine competitively inhibited [3H]nisoxetine binding in rat vas deferens membranes (Ki = 1.05±0.20 microM). It can be concluded that orphenadrine, at low micromolar concentrations, interacts with the noradrenaline reuptake system inhibiting its functionality and thus potentiating the effect of noradrenaline [2]. Related Catalog Signaling Pathways >> Membrane Transporter/Ion Channel >> iGluR Signaling Pathways >> Neuronal Signaling >> iGluR Research Areas >> Neurological Disease References [1]. Kornhuber, J., et al., Orphenadrine is an uncompetitive N-methyl-D-aspartate (NMDA) receptor antagonist: binding and patch clamp studies. J Neural Transm Gen Sect, 1995. 102(3): p. 237-46. [2]. Pubill, D., et al., Assessment of the adrenergic effects of orphenadrine in rat vas deferens. J Pharm Pharmacol, 1999. 51(3): p. 307-12. Chemical & Physical Properties Density 1.014 g/cm3 Boiling Point 363ºC at 760 mmHg Melting Point 132-134ºC Molecular Formula C24H31NO8 Molecular Weight 461.50500 Flash Point 107.1ºC Exact Mass 461.20500 PSA 133.60000 LogP 2.75980 InChIKey MMMNTDFSPSQXJP-UHFFFAOYSA-N SMILES Cc1ccccc1C(OCCN(C)C)c1ccccc1.O=C(O)CC(O)(CC(=O)O)C(=O)O Storage condition 2-8°C
Use ofProperties Articles28 Name orphenadrine citrate Synonym More Synonyms orphenadrine citrate Biological Activity Related Catalog Signaling Pathways >> Membrane Transporter/Ion Channel >> iGluR Signaling Pathways >> Neuronal Signaling >> iGluR Research Areas >> Neurological Disease References [1]. Kornhuber, J., et al., Orphenadrine is an uncompetitive N-methyl-D-aspartate (NMDA) receptor antagonist: binding and patch clamp studies. J Neural Transm Gen Sect, 1995. 102(3): p. 237-46. [2]. Pubill, D., et al., Assessment of the adrenergic effects of orphenadrine in rat vas deferens. J Pharm Pharmacol, 1999. 51(3): p. 307-12. Chemical & Physical Properties Molecular Formula C24H31NO8 Exact Mass 461.20500 PSA 133.60000 LogP 2.75980 InChIKey MMMNTDFSPSQXJP-UHFFFAOYSA-N
Transport InfoProduct name: Purity: 95.0%
MSDS Transport InfoModule 14. Shipping information 14.1 UN number European Land Transport Dangerous Regulations: -International Maritime Dangerous Regulations: -International Air Transport Dangerous Regulations: - 14.2 Names specified by the United Nations (UN) European Land Transport Dangerous Regulations: No dangerous goods IMDG Code: No dangerous goods International Air Transport Dangerous Regulations: No dangerous goods 14.3 Transport hazard categories European Land Transport Dangerous Regulations: -International Maritime Dangerous Regulations: -International Air Transport Dangerous Regulations: - 14.4 Package group European Land Transport Dangerous Regulations: -International Maritime Dangerous Regulations: -International Air Transport Dangerous Regulations: - 14.5 Environmental hazards European Land Transport Dangerous Regulations: No International Maritime Transport Dangerous Regulations Maritime Pollutants: No International Air Transport Risk Regulations: No 14.6 Special reminder to users No data available The company is not responsible for any damage caused by any operation or contact with the above products. For more terms of use, see invoice or package The reverse side of the mounting strip.
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