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Chemistry

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Also known as: Arimoclomol citrate [mi], 368860-21-3, Arimoclomol citrate [usan], Unii-q85ffy6179, Q85ffy6179, Orphazyme a/s

Molecular Formula

C₂₀H₂₈ClN₃O₁₀

Molecular Weight

505.9 g/mol

InChI Key

XSENLDLUMVYRET-BTQNPOSSSA-N

FDA UNII

Q85FFY6179

1 2D Structure

Arimoclomol Citrate

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

N-[(2R)-2-hydroxy-3-piperidin-1-ylpropoxy]-1-oxidopyridin-1-ium-3-carboximidoyl chloride;2-hydroxypropane-1,2,3-tricarboxylic acid

2.1.2 InChI

InChI=1S/C14H20ClN3O3.C6H8O7/c15-14(12-5-4-8-18(20)9-12)16-21-11-13(19)10-17-6-2-1-3-7-17;7-3(8)1-6(13,5(11)12)2-4(9)10/h4-5,8-9,13,19H,1-3,6-7,10-11H2;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/t13-;/m1./s1

2.1.3 InChI Key

XSENLDLUMVYRET-BTQNPOSSSA-N

2.2 Other Identifiers

2.2.1 UNII

Q85FFY6179

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. Arimoclomol Citrate [mi]

2. 368860-21-3

3. Arimoclomol Citrate [usan]

4. Unii-q85ffy6179

5. Q85ffy6179

6. Orphazyme A/s

7. 3-pyridinecarboximidoyl Chloride, N-((2r)-2-hydroxy-3-(1-piperidinyl)propoxy)-, 1-oxide, 2-hydroxy-1,2,3-propanetricarboxylate (1:1)

8. Arimoclomol Citrate (usan)

9. N-[(2r)-2-hydroxy-3-piperidin-1-ylpropoxy]-1-oxidopyridin-1-ium-3-carboximidoyl Chloride;2-hydroxypropane-1,2,3-tricarboxylic Acid

10. N-((2r)-2-hydroxy-3-(1-piperidyl)propoxy)pyridine-3-carboximidoyl Chloride, 1-oxide, 2-hydroxy-1,2,3-propanetricarboxylate

11. N-[(2r)-2-hydroxy-3-(1-piperidyl)propoxy]pyridine-3-carboximidoyl Chloride, 1-oxide, 2-hydroxy-1,2,3-propanetricarboxylate

12. Schembl2681096

13. Da-61204

14. Q27287107

15. 855-142-3

16. Arimoclomol Citrate; 3-pyridinecarboximidoyl Chloride, N-[(2r)-2-hydroxy-3-(1-piperidinyl)propoxy]-, 1-oxide, 2-hydroxy-1,2,3-propanetricarboxylate (1:1); 3-pyridinecarboximidoyl Chloride, N-[(2r)-2-hydroxy-3-(1-piperidinyl)propoxy]-, 1-oxide, 2-hydroxy-1,2,3-propanetricarbox

2.3.2 Other Synonyms

1. Arimoclomol

2.4 Create Date

2014-01-31

3 Chemical and Physical Properties

Molecular Formula	C₂₀H₂₈ClN₃O₁₀
Molecular Weight	505.9 g/mol
Hydrogen Bond Donor Count	5
Hydrogen Bond Acceptor Count	12
Rotatable Bond Count	11
Exact Mass	Da
Monoisotopic Mass	Da
Topological Polar Surface Area	203
Heavy Atom Count	34
Formal Charge	0
Complexity	565
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	1
Covalently Bonded Unit Count	2

4 Drug and Medication Information

4.1 Drug Indication

Treatment of amyotrophic lateral sclerosis

Treatment of amyotrophic lateral sclerosis, Treatment of sporadic inclusion body myositis

Treatment of Niemann-Pick disease, type C

Drugs in Development

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