Beijing Zhongshuo Pharmaceutical

QYOWWJNQQPRWCO-QPUJVOFHSA-N

Chemistry, 2 End Use API, 24 Related Intermediates

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Also known as: 241479-73-2, (2r,3s)-2-(2,5-difluorophenyl)-3-methyl-2-[(1h-1,2,4-triazol-1-yl)-methyl]-oxirane, 1-[[(2r,3s)-2-(2,5-difluorophenyl)-3-methyloxiran-2-yl]methyl]-1,2,4-triazole, 1-[[(2r,3s)-2-(2,5-difluorophenyl)-3-methyloxiranyl]methyl]-1h-1,2,4-triazole, Schembl1828222, Zinc34279570

Molecular Formula

C₁₂H₁₁F₂N₃O

Molecular Weight

251.23 g/mol

InChI Key

QYOWWJNQQPRWCO-QPUJVOFHSA-N

1 2D Structure

QYOWWJNQQPRWCO-QPUJVOFHSA-N

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

1-[[(2R,3S)-2-(2,5-difluorophenyl)-3-methyloxiran-2-yl]methyl]-1,2,4-triazole

2.1.2 InChI

InChI=1S/C12H11F2N3O/c1-8-12(18-8,5-17-7-15-6-16-17)10-4-9(13)2-3-11(10)14/h2-4,6-8H,5H2,1H3/t8-,12+/m0/s1

2.1.3 InChI Key

QYOWWJNQQPRWCO-QPUJVOFHSA-N

2.1.4 Canonical SMILES

CC1C(O1)(CN2C=NC=N2)C3=C(C=CC(=C3)F)F

2.1.5 Isomeric SMILES

C[C@H]1[C@](O1)(CN2C=NC=N2)C3=C(C=CC(=C3)F)F

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 241479-73-2

2. (2r,3s)-2-(2,5-difluorophenyl)-3-methyl-2-[(1h-1,2,4-triazol-1-yl)-methyl]-oxirane

3. 1-[[(2r,3s)-2-(2,5-difluorophenyl)-3-methyloxiran-2-yl]methyl]-1,2,4-triazole

4. 1-[[(2r,3s)-2-(2,5-difluorophenyl)-3-methyloxiranyl]methyl]-1h-1,2,4-triazole

5. Schembl1828222

6. Zinc34279570

7. Bs-51355

8. A854828

9. A1-03608

10. 1-[[(2r,3s)-2-(2,5-difluorophenyl)-3-methyloxiranyl]methyl]-1h-1,2,4-

11. (2r,3s)-2-(2,5-difluorophenyl)-3-methyl-2-[(1h-1,2,4-triazol-1-yl)methyl]oxirane

12. (2r,3s)-2-(2,5-difluorophenyl)-3-methyl-2-[(1h-1,2,4-triazole-1-yl)methyl]oxirane

2.3 Create Date

2006-10-25

3 Chemical and Physical Properties

Molecular Formula	C₁₂H₁₁F₂N₃O
Molecular Weight	251.23 g/mol
XLogP3	1.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	3
Exact Mass	251.08701831 g/mol
Monoisotopic Mass	251.08701831 g/mol
Topological Polar Surface Area	43.2 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	320
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	1

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CAS Number

483340-19-8

End Use API

Isavuconazonium Sulfate

About the Company

Beijing Zhongshuo Pharmaceutical Technology Development Co., Ltd. (BJ Zhongshuo) was established in 2001....

Beijing Zhongshuo Pharmaceutical Technology Development Co., Ltd. (BJ Zhongshuo) was established in 2001. It came from a subsidiary company of China National Pharmaceutical Industry Company affiliated to China National Pharmaceutical Group (CNPIC). BJ Zhongshuo runs a medicine R&D centre in Beijing Economic-Technological Development Area with over 20 experienced specialists and a batch of advanced equipment for experiment and detection. The centre deals with the R&D for innovated drugs and Generic drugs as well as the optimization and improvement on exiting products. The R&D centre is now able to deal with 10-15 new products per year.

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