Suanfarma Suanfarma

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CAS 67914-86-7 manufacturers and suppliers on PharmaCompass

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CAS 67914-86-7
Also known as: 67914-86-7, [(2r,4r)-2-(2,4-dichlorophenyl)-2-(1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methyl methanesulfonate, Cis-2-(2,4-dichlorophenyl)-2-(1h-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-ylmethyl methanesulphonate, (cis-2-((1h-1,2,4-triazol-1-yl)methyl)-2-(2,4-dichlorophenyl)-1,3-dioxolan-4-yl)methyl methanesulfonate, Rac,cis-[2-(2,4-dichlorophenyl)-2-(1h-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methyl methanesulfonate, Cis-[2-(2,4-dichlorophenyl)-2-(1h-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methyl methanesulfonate
Molecular Formula
C14H15Cl2N3O5S
Molecular Weight
408.3  g/mol
InChI Key
QIMASXGTWQEFGS-RISCZKNCSA-N
FDA UNII
T2I5SBS81M

1 2D Structure

CAS 67914-86-7

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
[(2R,4R)-2-(2,4-dichlorophenyl)-2-(1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methyl methanesulfonate
2.1.2 InChI
InChI=1S/C14H15Cl2N3O5S/c1-25(20,21)23-6-11-5-22-14(24-11,7-19-9-17-8-18-19)12-3-2-10(15)4-13(12)16/h2-4,8-9,11H,5-7H2,1H3/t11-,14+/m1/s1
2.1.3 InChI Key
QIMASXGTWQEFGS-RISCZKNCSA-N
2.1.4 Canonical SMILES
CS(=O)(=O)OCC1COC(O1)(CN2C=NC=N2)C3=C(C=C(C=C3)Cl)Cl
2.1.5 Isomeric SMILES
CS(=O)(=O)OC[C@H]1CO[C@](O1)(CN2C=NC=N2)C3=C(C=C(C=C3)Cl)Cl
2.2 Other Identifiers
2.2.1 UNII
T2I5SBS81M
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. 67914-86-7

2. [(2r,4r)-2-(2,4-dichlorophenyl)-2-(1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methyl Methanesulfonate

3. Cis-2-(2,4-dichlorophenyl)-2-(1h-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-ylmethyl Methanesulphonate

4. (cis-2-((1h-1,2,4-triazol-1-yl)methyl)-2-(2,4-dichlorophenyl)-1,3-dioxolan-4-yl)methyl Methanesulfonate

5. Rac,cis-[2-(2,4-dichlorophenyl)-2-(1h-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methyl Methanesulfonate

6. Cis-[2-(2,4-dichlorophenyl)-2-(1h-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methyl Methanesulfonate

7. T-1333 Free Base

8. Cis-2-(2,4-dichlorophenyl)-2-(1h-1,2,4-triazol-1-ylmethyl)-1,3-dioxolane-4-methanol Mesilate

9. T2i5sbs81m

10. Cis-[2-(2,4-dichlorophenyl)-2-(1h-1,2,4-triazol-1-yl-methyl)-1,3-dioxolan-4-yl]methyl Methanesulfonate

11. Zinc2274715

12. Ac-329

13. Mfcd06410887

14. Akos015961384

15. As-14152

16. Cs-0157098

17. W16715

18. 914d867

19. W-203507

20. ((2r,4r)-2-((1h-1,2,4-triazol-1-yl)methyl)-2-(2,4-dichlorophenyl)-1,3-dioxolan-4-yl)methyl Methanesulfonate

21. (cis-2-((1h-1,2,4-triazol-1-yl)methyl)-2-(2,4-dichlorophenyl)-1,3-dioxolan-4-yl)methylmethanesulfonate

22. 1,3-dioxolane-4-methanol, 2-(2,4-dichlorophenyl)-2-(1h-1,2,4-triazol-1-ylmethyl)-, 4-methanesulfonate, (2r,4r)-rel-

23. Cis-[2-(2,4-dichlorophenyl)-2-(1,2,4-triazol-1-yl-methyl)-1,3-dioxolan-4-yl]methyl Methanesulphonate

24. Methanesulfonic Acid [(2r)-2alpha-(2,4-dichlorophenyl)-2beta-(1h-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4beta-yl]methyl Ester

2.4 Create Date
2005-07-13
3 Chemical and Physical Properties
Molecular Weight 408.3 g/mol
Molecular Formula C14H15Cl2N3O5S
XLogP31.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count7
Rotatable Bond Count6
Exact Mass407.0109471 g/mol
Monoisotopic Mass407.0109471 g/mol
Topological Polar Surface Area101 Ų
Heavy Atom Count25
Formal Charge0
Complexity563
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
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