CAS 376608-71-8 manufacturers and suppliers on PharmaCompass

PharmaCompass

Chemistry

Click the arrow to open the dropdown
read-moreClick the button for full data set
Also known as: 376608-71-8, (1r,2s)-2-(3,4-difluorophenyl)cyclopropanaminium (2r)-hydroxy(phenyl)ethanoate, Th0osf4lf9, (1r,2s)-2-(3,4-difluorophenyl)cyclopropanamine (2r)-hydroxy(phenyl)ethanoate, (1r,2s)-2-(3,4-difluorophenyl)cyclopropan-1-amine;(2r)-2-hydroxy-2-phenylacetic acid, (1r,2s)-2-(3,4-difluorophenyl)cyclopropanamine r-mandelate
Molecular Formula
C17H17F2NO3
Molecular Weight
321.32  g/mol
InChI Key
GUESUQPLVFMJIT-KLTOLQSASA-N
FDA UNII
TH0OSF4LF9

CAS 376608-71-8
1 2D Structure

CAS 376608-71-8

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
(1R,2S)-2-(3,4-difluorophenyl)cyclopropan-1-amine;(2R)-2-hydroxy-2-phenylacetic acid
2.1.2 InChI
InChI=1S/C9H9F2N.C8H8O3/c10-7-2-1-5(3-8(7)11)6-4-9(6)12;9-7(8(10)11)6-4-2-1-3-5-6/h1-3,6,9H,4,12H2;1-5,7,9H,(H,10,11)/t6-,9+;7-/m01/s1
2.1.3 InChI Key
GUESUQPLVFMJIT-KLTOLQSASA-N
2.1.4 Canonical SMILES
C1C(C1N)C2=CC(=C(C=C2)F)F.C1=CC=C(C=C1)C(C(=O)O)O
2.1.5 Isomeric SMILES
C1[C@H]([C@@H]1N)C2=CC(=C(C=C2)F)F.C1=CC=C(C=C1)[C@H](C(=O)O)O
2.2 Other Identifiers
2.2.1 UNII
TH0OSF4LF9
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. 376608-71-8

2. (1r,2s)-2-(3,4-difluorophenyl)cyclopropanaminium (2r)-hydroxy(phenyl)ethanoate

3. Th0osf4lf9

4. (1r,2s)-2-(3,4-difluorophenyl)cyclopropanamine (2r)-hydroxy(phenyl)ethanoate

5. (1r,2s)-2-(3,4-difluorophenyl)cyclopropan-1-amine;(2r)-2-hydroxy-2-phenylacetic Acid

6. (1r,2s)-2-(3,4-difluorophenyl)cyclopropanamine R-mandelate

7. (1r,2s)-2-(3,4-difluorophenyl)cyclopropanamine (r)-2-hydroxy-2-phenylacetic Acid

8. Trans-(1r,2s)-2-(3,4-difluorophenyl)cyclopropanamine (2r)-2-hydroxy-2-phenylethanoate

9. (alphar)-alpha-hydroxybenzeneacetic Acid Compd. With (1r,2s)-2-(3,4-difluorophenyl)cyclopropanamine

10. (1r,2s)-2-(3,4-difluorophenyl)cyclopropan-1-amine; (2r)-2-hydroxy-2-phenylacetic Acid

11. Ex-7182

12. Unii-th0osf4lf9

13. Ambz0379

14. Ticagrelor Related Compound 107

15. Dtxsid60433193

16. Cs-m1881

17. Mfcd21362980

18. Akos022186450

19. Am85747

20. Ac-27491

21. As-51549

22. P12919

23. Ticagrelor Related Compound A [usp-rs]

24. (1r,2s)-2-(3,4-difluorophenyl)cyclopropanamine D-mandelic Acid

25. (1r,2r)-2-(3,4-difluorophenyl) Cyclopropanamine (s)-(carboxylato(phenyl) Methyl)holmium

26. (1r,2s)-2-(3,4-difluorophenyl)cyclopropan-1-amine (2r)-2-hydroxy-2-phenylacetic Acid

27. (1r,2s)-2-(3,4-difluorophenyl)cyclopropan-1-amine (2r)-2-hydroxy-2-phenylacetic Acid

28. (1r,2s)-2-(3,4-difluorophenyl)cyclopropanamine(r)-2-hydroxy-2-phenylacetate

29. (1r,2s)-2-(3,4-difluorophenyl)cyclopropanamine; (r)-2-hydroxy-2-phenylacetate

30. (2r)-hydroxy(phenyl)acetic Acid--(1r,2s)-2-(3,4-difluorophenyl)cyclopropan-1-amine (1/1)

2.4 Create Date
2006-10-25
3 Chemical and Physical Properties
Molecular Weight 321.32 g/mol
Molecular Formula C17H17F2NO3
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Exact Mass321.11764973 g/mol
Monoisotopic Mass321.11764973 g/mol
Topological Polar Surface Area83.6 Ų
Heavy Atom Count23
Formal Charge0
Complexity312
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count2

BUILDING BLOCK

Upload your portfolio for free, ask us

END USE APIs

read-more
read-more

MARKET PLACE

Do you need sourcing support? Ask us
Ask Us for Pharmaceutical Supplier and Partner
Ask Us, Find A Supplier / Partner
No Commissions, No Strings Attached, Get Connected for FREE

What are you looking for?

How can we help you?

The request can't be empty

Please read our Privacy Policy carefully

You must agree to the privacy policy

The name can't be empty
The company can't be empty.
The email can't be empty Please enter a valid email.
The mobile can't be empty