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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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Integrin Life Sciences Pvt. Ltd. is one of the growing pharmaceutical API, advanced chemical intermediate...
Integrin Life Sciences Pvt. Ltd. is one of the growing pharmaceutical API, advanced chemical intermediates manufacturing companies in India. Our Plant is Located in Jaggaiahpet APIIC Industrial Estate, Krishna District, Near the National highway from Hyderabad to Vijayawada, from Hyderabad Airport to 200 km. Integrin is Managed by young entrepreneurs having vast experience in various fields like R & D, production, and marketing of active pharmaceutical ingredients. Integrin life sciences in multi Therapeutic SegmentsLike AntiUlcer, AntiPsychotics, Anti Histamines Anti Fungal and AntiDepressants.
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Kopalle Pharma is a trusted manufacturer of Active Pharma Ingredients (API’s) & Intermediates. Kopalle ...
Kopalle Pharma is a trusted manufacturer of Active Pharma Ingredients (API’s) & Intermediates. Kopalle Pharma Chemicals Pvt Ltd is an ISO 9001:2015 Certified Company and has a GMP Certified manufacturing facility at Jeedimetla, Hyderabad.
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We believe in attaining the highest levels of customer satisfaction and social welfare with the philosoph...
We believe in attaining the highest levels of customer satisfaction and social welfare with the philosophy of keeping first things first. Our systematic interventions keeping abreast of new and emerging technologies consistently help us meet and exceed quality standards with significant innovations. At LifeFirst, we strive to maintain our goodwill as one of the key partners of choice with the reputation of delivering consistently high-quality products to the pharmaceutical industry. After all, our fundamental philosophy is to offer unrelenting care and cure worldwide with our innovations.
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Smilax Laboratories Limited is a research-driven, vertically integrated pharmaceutical company manufactur...
Smilax Laboratories Limited is a research-driven, vertically integrated pharmaceutical company manufacturing Active Pharmaceutical Ingredients, API Intermediates and NDDS/Pellets for the generics market across the world. Set up in 2005, Smilax has emerged a reliable supplier of generic products in the global market today. Set up in 2005, Smilax has emerged a reliable supplier of generic products in the global market today.Set up in 2005, Smilax has emerged a reliable supplier of generic products in the global market today. Smilax manufactures APIs and API Intermediates at its state-of-the-art manufacturing facilities located at Hyderabad, Telangana and Visakhapatnam, Andhra Pradesh, India. Supported by a highly qualified and competent technical team, and endowed with strengths in research and development, Smilax continues to expand its presence in the world of pharmaceuticals.
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