Kimia Biosciences

CAS 202189-76-2

Chemistry, 4 End Use API, 19 Related Intermediates

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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

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 Formula	C₂₃H₂₉NO₄S
Molecular Weight	415.5 g/mol
XLogP3	4.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	7
Exact Mass	415.18172958 g/mol
Monoisotopic Mass	415.18172958 g/mol
Topological Polar Surface Area	73.3 Å²
Heavy Atom Count	29
Formal Charge	0
Complexity	676
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

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CAS Number

202189-77-3

End Use API

Bilastine

About the Company

Kimia Biosciences, established in 1993, is focused on manufacturing bulk drugs for various therapeutic se...

Kimia Biosciences, established in 1993, is focused on manufacturing bulk drugs for various therapeutic segments. With a strong emphasis on excellence and advanced technologies, Kimia aims to become a globally recognized company in both APIs and FDFs while upholding clean business practices. Kimia's state-of-the-art facilities at Village Bhondsi, Gurugram enable it to produce a wide range of APIs. Kimia also plans to establish its own facilities for lifestyle segments, adhering to international regulatory standards. Kimia aims to provide the best pharmaceutical products and support to consumers and healthcare professionals.

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