CAS 202189-76-2 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: 202189-76-2, Bilastine its-1, 2-[4-[1-(4,4-dimethyl-5h-oxazol-2-yl)-1-methyl-ethyl]phenyl]ethyl 4-methylbenzenesulfonate, 2-[4-[1-(4,4-dimethyl-5h-oxazol-2-yl)-1-methylethyl]phenyl]ethyl 4-methylbenzenesulfonate, 2-[4-[2-(4,4-dimethyl-5h-1,3-oxazol-2-yl)propan-2-yl]phenyl]ethyl 4-methylbenzenesulfonate, 4-[2-(4,5-dihydro-4,4-dimethyloxazol-2-yl)propan-2
Molecular Formula
C23H29NO4S
Molecular Weight
415.5  g/mol
InChI Key
BGUOPDZOVDIWLE-UHFFFAOYSA-N

CAS 202189-76-2
1 2D Structure

CAS 202189-76-2

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
2-[4-[2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)propan-2-yl]phenyl]ethyl 4-methylbenzenesulfonate
2.1.2 InChI
InChI=1S/C23H29NO4S/c1-17-6-12-20(13-7-17)29(25,26)28-15-14-18-8-10-19(11-9-18)23(4,5)21-24-22(2,3)16-27-21/h6-13H,14-16H2,1-5H3
2.1.3 InChI Key
BGUOPDZOVDIWLE-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CC1=CC=C(C=C1)S(=O)(=O)OCCC2=CC=C(C=C2)C(C)(C)C3=NC(CO3)(C)C
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 202189-76-2

2. Bilastine Its-1

3. 2-[4-[1-(4,4-dimethyl-5h-oxazol-2-yl)-1-methyl-ethyl]phenyl]ethyl 4-methylbenzenesulfonate

4. 2-[4-[1-(4,4-dimethyl-5h-oxazol-2-yl)-1-methylethyl]phenyl]ethyl 4-methylbenzenesulfonate

5. 2-[4-[2-(4,4-dimethyl-5h-1,3-oxazol-2-yl)propan-2-yl]phenyl]ethyl 4-methylbenzenesulfonate

6. 4-[2-(4,5-dihydro-4,4-dimethyloxazol-2-yl)propan-2

7. Benzeneethanol, 4-[1-(4,5-dihydro-4,4-dimethyl-2-oxazolyl)-1-methylethyl]-, 1-(4-methylbenzenesulfonate)

8. 2-(4-(1-(4,4-dimethyl-5h-oxazol-2-yl)-1-methylethyl)phenyl)ethyl 4-methylbenzenesulfonate

9. Dtxsid601111153

10. Bcp28170

11. Mfcd11046409

12. Zinc22016872

13. Ds-19752

14. Cs-0160873

15. D83844

16. 4-(2-(4,4-dimethyl-4,5-dihydrooxazol-2-yl)propan-2-yl)phenethyl4-methylbenzenesulfonate

17. 2-[4-[1-(4,4-dimethyl-5h-oxazol-2-yl)-1-methyl- Ethyl] Phenyl]ethyl 4-methylbenzenesulfonate

2.3 Create Date
2009-05-28
3 Chemical and Physical Properties
Molecular Weight 415.5 g/mol
Molecular Formula C23H29NO4S
XLogP34.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count7
Exact Mass415.18172958 g/mol
Monoisotopic Mass415.18172958 g/mol
Topological Polar Surface Area73.3 Ų
Heavy Atom Count29
Formal Charge0
Complexity676
Isotope Atom Count0
Defined Atom Stereocenter Count0
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