CAS 4682-36-4|Norflex|Orphenadrine citrate |2-hydroxypropane-1,2,3-tricarboxylic acid; dimethyl({2-[(2-methylphenyl)(phenyl)methoxy]ethyl})amine|citro; orphenadrine|Orphenadrine Citrate Salt|Banflex...

General Information

Structure

Molecular Formula

C₂₄H₃₁NO₈

Molecular Mass

461.50484

Exact Mass

461.20496696

Charge

InChI

InChI=1S/C18H23NO.C6H8O7/c1-15-9-7-8-12-17(15)18(20-14-13-19(2)3)16-10-5-4-6-11-16;7-3(8)1-6(13,5(11)12)2-4(9)10/h4-12,18H,13-14H2,1-3H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)

InChIKey

MMMNTDFSPSQXJP-UHFFFAOYSA-N

Canonic Smiles

OC(=O)C(CC(=O)O)(CC(=O)O)O.CN(CCOC(c1ccccc1C)c1ccccc1)C

Isomeric Smiles

c1(C(OCCN(C)C)c2ccccc2C)ccccc1.OC(=O)CC(CC(=O)O)(C(=O)O)O

Calculated Properties

JChem

LogD (pH = 7.4)

2.69

LogD (pH = 5.5)

1.04

Log P

4.17

Rotatable Bonds

H Donor

H Acceptors

Lipinski's Rule of Five

true

Acid pKa

8.87

Polar Surface Area

12.47

Polarizability

31.93

Molar Refractivity

84.97

LOG S

-3.36

Data Source

Names and Identifiers

Synonyms

NorflexOrphenadrine citrate Orphenadrine Citrate SaltBanflexX-OtagN,N-Dimethyl-2-[(2-methylphenyl)phenylmethoxy]ethanamine Citrate Salt2-hydroxypropane-1,2,3-tricarboxylic acid; dimethyl({2-[(2-methylphenyl)(phenyl)methoxy]ethyl})amineorphenadrine citrateN,N-dimethyl-2-((o-methyl-alpha-phenylbenzyl)oxy)ethylamine citrate(+-)-N,N-dimethyl-2-((o-methyl-alpha-phenylbenzyl)oxy)ethylamine citrateorphenadrine dihydrogen citrate

IUPAC name

2-hydroxypropane-1,2,3-tricarboxylic acid; dimethyl({2-[(2-methylphenyl)(phenyl)methoxy]ethyl})amine

IUPAC Traditional name

citro; orphenadrine flexon

API Name

Orphenadrine citrate

Brand Name

BanflexX-OtagNorflexFlexon

Names and Identifiers

Registration numbers

PubChem SID

162038211104222109