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8 US Patents, 1 US Exclusivities

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8 US Patents
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Synopsis

ACTIVE PHARMA INGREDIENTS

API Suppliers

USDMF

CEP/COS

JDMF

EU WC

KDMF

NDC API

VMF

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0INTERMEDIATES

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US Patents

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Chemistry

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Also known as: Apd334 l-arginine, Velsipity, Mxe5ema09l, Etrasimod arginine [usan], 1206123-97-8, Unii-mxe5ema09l

Molecular Formula

C₃₂H₄₀F₃N₅O₅

Molecular Weight

631.7 g/mol

InChI Key

GVPVVOSNDUAUKM-BPGOJFKZSA-N

FDA UNII

MXE5EMA09L

1 2D Structure

Etrasimod Arginine

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

(2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;2-[(3R)-7-[[4-cyclopentyl-3-(trifluoromethyl)phenyl]methoxy]-1,2,3,4-tetrahydrocyclopenta[b]indol-3-yl]acetic acid

2.1.2 InChI

InChI=1S/C26H26F3NO3.C6H14N4O2/c27-26(28,29)22-11-15(5-8-19(22)16-3-1-2-4-16)14-33-18-7-10-23-21(13-18)20-9-6-17(12-24(31)32)25(20)30-23;7-4(5(11)12)2-1-3-10-6(8)9/h5,7-8,10-11,13,16-17,30H,1-4,6,9,12,14H2,(H,31,32);4H,1-3,7H2,(H,11,12)(H4,8,9,10)/t17-;4-/m10/s1

2.1.3 InChI Key

GVPVVOSNDUAUKM-BPGOJFKZSA-N

2.1.4 Canonical SMILES

C1CCC(C1)C2=C(C=C(C=C2)COC3=CC4=C(C=C3)NC5=C4CCC5CC(=O)O)C(F)(F)F.C(CC(C(=O)O)N)CN=C(N)N

2.1.5 Isomeric SMILES

C1CCC(C1)C2=C(C=C(C=C2)COC3=CC4=C(C=C3)NC5=C4CC[C@@H]5CC(=O)O)C(F)(F)F.C(C[C@@H](C(=O)O)N)CN=C(N)N

2.2 Other Identifiers

2.2.1 UNII

MXE5EMA09L

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. Apd334 L-arginine

2. Velsipity

3. Mxe5ema09l

4. Etrasimod Arginine [usan]

5. 1206123-97-8

6. Unii-mxe5ema09l

7. Etrasimod Arginine (usan)

8. L-arginine Mono((3r)-7-((4-cyclopentyl-3-(trifluoromethyl)phenyl)methoxy)-1,2,3,4-tetrahydrocyclopenta(b)indol-3-yl)acetate

9. L-arginine, (3r)-7-((4-cyclopentyl-3-(trifluoromethyl)phenyl)methoxy)-1,2,3,4-tetrahydrocyclopent(b)indole-3-acetate (1:1)

10. L-arginine, (3r)-7-[[4-cyclopentyl-3-(trifluoromethyl)phenyl]methoxy]-1,2,3,4-tetrahydrocyclopent[b]indole-3-acetate (1:1)

11. Apd334 Arginine

12. Etrasimod L-arginine

13. Apd 334 L-arginine

14. Apd-334 L-arginine

15. Chebi:229231

16. Gvpvvosnduaukm-bpgojfkzsa-n

17. Akos040751750

18. Pf-07915503

19. D10931

20. Pf-07915503-94

21. Q27284283

22. Pf-07915503-94-0003

23. L-arginine Salt Of (r)-2-(7-(4-cyclopentyl-3-(trifluoromethyl)benzyloxy)-1,2,3,4-tetrahydrocyclopenta[b]indol-3-yl)acetic Acid

24. L-arginine--[(3r)-7-{[4-cyclopentyl-3-(trifluoromethyl)phenyl]methoxy}-1,2,3,4-tetrahydrocyclopenta[b]indol-3-yl]acetic Acid (1/1)

2.4 Create Date

2010-03-01

3 Chemical and Physical Properties

Molecular Formula	C₃₂H₄₀F₃N₅O₅
Molecular Weight	631.7 g/mol
Hydrogen Bond Donor Count	6
Hydrogen Bond Acceptor Count	10
Rotatable Bond Count	11
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	190
Heavy Atom Count	45
Formal Charge	0
Complexity	871
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	2

API SUPPLIERS

01

Beijing Mesochem Technology

China

USDMF, CEP/COS, JDMF, EU-WC, NDC, KDMF, VMF, Others

CPhI China

Attending

Mesochem is focused on incessant innovation along with the R&D of new APIs.

Contact Supplier

China

Virtual Booth

Digital Content

USDMF CEP/COS JDMF EU-WC NDC KDMF VMF Others AUDIT

02

Lee Pharma

India

USDMF, CEP/COS, JDMF, EU-WC, NDC, KDMF, VMF, Others

Cophex

Not Confirmed

03

Honour Lab

India

USDMF, CEP/COS, JDMF, EU-WC, NDC, KDMF, VMF, Others

Cophex

Not Confirmed

04

Alembic Pharmaceuticals Limited

India

USDMF, CEP/COS, JDMF, EU-WC, NDC, KDMF, VMF, Others

Cophex

Not Confirmed

05

Beijing Sjar Technology Developmen...

China

USDMF, CEP/COS, JDMF, EU-WC, NDC, KDMF, VMF, Others

Cophex

Not Confirmed

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Listed Suppliers

01

Beijing Mesochem Technology

China

CPhI China

Attending

Mesochem is focused on incessant innovation along with the R&D of new APIs.

Contact Supplier

China

Virtual Booth

Digital Content

Etrasimod L-Arginine

About the Company : Beijing Mesochem Technology Co. Ltd., which is located in the national economic and technological development area of Yizhuang, China, manufactures pharmaceutical chemicals, fine c...

Beijing Mesochem Technology Co. Ltd., which is located in the national economic and technological development area of Yizhuang, China, manufactures pharmaceutical chemicals, fine chemicals and fundamental chemical materials. It has an efficient research and development team. Beijing Mesochem provides its customers customized development, craft optimization, contract customization and outsourcing services. The company has a well-established industrial base in Weinan, Shanxi Province. The production base features a 20,000 ㎡ plant with a production capacity of over 8,000 MT per year.