CAS 149490-61-9 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: 149490-61-9, N-butylsulfonyl-o-(4-(4-pyridinyl)butyl)-l-tyrosine, N-(n-butanesulfonyl)-o-[4-(4-pyridinyl)-butyl]-(s)-tyrosine, (2s)-2-(butylsulfonylamino)-3-[4-(4-pyridin-4-ylbutoxy)phenyl]propanoic acid, Tirofiban impurity c, N-(butylsulfonyl)-o-[4-pyridin-4-yl]butyl]-l-tyrosine
Molecular Formula
C22H30N2O5S
Molecular Weight
434.6  g/mol
InChI Key
FRFFSBHFSQTHRE-NRFANRHFSA-N

CAS 149490-61-9
1 2D Structure

CAS 149490-61-9

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
(2S)-2-(butylsulfonylamino)-3-[4-(4-pyridin-4-ylbutoxy)phenyl]propanoic acid
2.1.2 InChI
InChI=1S/C22H30N2O5S/c1-2-3-16-30(27,28)24-21(22(25)26)17-19-7-9-20(10-8-19)29-15-5-4-6-18-11-13-23-14-12-18/h7-14,21,24H,2-6,15-17H2,1H3,(H,25,26)/t21-/m0/s1
2.1.3 InChI Key
FRFFSBHFSQTHRE-NRFANRHFSA-N
2.1.4 Canonical SMILES
CCCCS(=O)(=O)NC(CC1=CC=C(C=C1)OCCCCC2=CC=NC=C2)C(=O)O
2.1.5 Isomeric SMILES
CCCCS(=O)(=O)N[C@@H](CC1=CC=C(C=C1)OCCCCC2=CC=NC=C2)C(=O)O
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 149490-61-9

2. N-butylsulfonyl-o-(4-(4-pyridinyl)butyl)-l-tyrosine

3. N-(n-butanesulfonyl)-o-[4-(4-pyridinyl)-butyl]-(s)-tyrosine

4. (2s)-2-(butylsulfonylamino)-3-[4-(4-pyridin-4-ylbutoxy)phenyl]propanoic Acid

5. Tirofiban Impurity C

6. N-(butylsulfonyl)-o-[4-pyridin-4-yl]butyl]-l-tyrosine

7. Schembl7416018

8. Dtxsid20446264

9. Act04425

10. Zinc22053407

11. Akos015902313

12. Ac-3478

13. Cs-0337142

14. 490b619

15. N-(butylsulfonyl)-o-[4-(4-pyridinyl) Butyl]-l-tyrosine

16. N-(butane-1-sulfonyl)-o-[4-(pyridin-4-yl)butyl]-l-tyrosine

17. (s)-2-(butylsulfonamido)-3-(4-(4-(pyridin-4-yl)butoxy)phenyl)propanoicacid

18. (s)-2-(butane-1-sulfonylamino)-3-[4-(4-pyridin-4-yl-butoxy)-phenyl]-propionic Acid

2.3 Create Date
2006-10-26
3 Chemical and Physical Properties
Molecular Weight 434.6 g/mol
Molecular Formula C22H30N2O5S
XLogP33.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count14
Exact Mass434.18754324 g/mol
Monoisotopic Mass434.18754324 g/mol
Topological Polar Surface Area114 Ų
Heavy Atom Count30
Formal Charge0
Complexity579
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

BUILDING BLOCK

Upload your portfolio for free, ask us

END USE APIs

read-more
read-more
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