API SUPPLIERS

API Suppliers

0

US DMFs Filed

0

CEP/COS Certifications

0

JDMFs Filed

0

Other Certificates

0

Other Suppliers

0

API REF. PRICE (USD / KG)

0

API Market Place

0

INTERMEDIATES

0

DOSSIERS // FDF

USA (Orange Book)

0

Europe

0

Canada

0

Australia

0

South Africa

0

Uploaded Dossiers

0

GLOBAL SALES (USD Million)

U.S. Medicaid

0

Annual Reports

0

FDF Market Place

0

EXCIPIENTS

0

PATENTS & EXCLUSIVITIES

USFDA Orange Book Patents

0

USFDA Exclusivities

0

DIGITAL CONTENT

Blog #PharmaFlow

0

News

0

REF STANDARD

EDQM

0

USP

0

JP

0

Other Listed Suppliers

0

SERVICES

0

Also known as: Nelonemdaz, 640290-67-1, Neu2000, Neu-2000, Nelonemdaz [inn], Tp6pki8cqp

Molecular Formula

C₁₅H₈F₇NO₃

Molecular Weight

383.22 g/mol

InChI Key

HABROHXUHNHQMY-UHFFFAOYSA-N

FDA UNII

TP6PKI8CQP

1 2D Structure

Nelonemdaz

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

2-hydroxy-5-[[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]methylamino]benzoic acid

2.1.2 InChI

InChI=1S/C15H8F7NO3/c16-10-7(11(17)13(19)9(12(10)18)15(20,21)22)4-23-5-1-2-8(24)6(3-5)14(25)26/h1-3,23-24H,4H2,(H,25,26)

2.1.3 InChI Key

HABROHXUHNHQMY-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1=CC(=C(C=C1NCC2=C(C(=C(C(=C2F)F)C(F)(F)F)F)F)C(=O)O)O

2.2 Other Identifiers

2.2.1 UNII

TP6PKI8CQP

2.3 Synonyms

2.3.1 MeSH Synonyms

1. Neu2000

2.3.2 Depositor-Supplied Synonyms

1. Nelonemdaz

2. 640290-67-1

3. Neu2000

4. Neu-2000

5. Nelonemdaz [inn]

6. Tp6pki8cqp

7. Neu-2000-kl

8. 2-hydroxy-5-[[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]methylamino]benzoic Acid

9. 2-hydroxy-5-[[[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]methyl]amino]benzoic Acid

10. 2-hydroxy-5-((2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl)methylamino)benzoic Acid

11. Benzoic Acid, 2-hydroxy-5-(((2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl)methyl)amino)-

12. Unii-tp6pki8cqp

13. Schembl580229

14. Sb17041

15. Hy-106408

16. Cs-0025740

17. 2-hydroxy-5-(2,3,5,6-tetrafluoro-4-trifluoromethylbenzylamino)benzoic Acid

18. 2-hydroxy-5-(2,3,5,6-tetrafluoro-4-(trifluoromethyl)benzylamino)benzoic Acid

19. 2-hydroxy-5-(2,3,5,6-tetrafluoro-4-trifluoromethylbenzylamino) Benzoic Acid

20. 2-hydroxy-5-[2,3,5,6-tetrafluoro-4-trifluoromethyl-benzylamino]-benzoic Acid

2.4 Create Date

2006-10-25

3 Chemical and Physical Properties

Molecular Formula	C₁₅H₈F₇NO₃
Molecular Weight	383.22 g/mol
XLogP3	4.4
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	11
Rotatable Bond Count	4
Exact Mass	383.03924025 g/mol
Monoisotopic Mass	383.03924025 g/mol
Topological Polar Surface Area	69.6 Å²
Heavy Atom Count	26
Formal Charge	0
Complexity	490
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1