Jinan Chenghui Shuangda Chemical

CAS 26638-66-4

Chemistry, 4 End Use API, 12 Related Intermediates

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Also known as: 26638-66-4, 3,11-dichloro-6-methyl-6,11-dihydrodibenzo[c,f][1,2]thiazepine 5,5-dioxide, 3,11-dichloro-6,11-dihydro-6-methyl-5,5-dioxodibenzo[c,f][1,2]thiazepine, 3,11-dichloro-6-methyl-11h-benzo[c][2,1]benzothiazepine 5,5-dioxide, Dibenzo[c,f][1,2]thiazepine,3,11-dichloro-6,11-dihydro-6-methyl-,5,5-dioxide, Rac 3,11-dichloro-6,11-dihydro-6-methyl-dibenzo[c,f][1,2]thiazepine 5,5-dioxide

Molecular Formula

C₁₄H₁₁Cl₂NO₂S

Molecular Weight

328.2 g/mol

InChI Key

FHICZIHQHGRZLE-UHFFFAOYSA-N

1 2D Structure

CAS 26638-66-4

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

3,11-dichloro-6-methyl-11H-benzo[c][2,1]benzothiazepine 5,5-dioxide

2.1.2 InChI

InChI=1S/C14H11Cl2NO2S/c1-17-12-5-3-2-4-10(12)14(16)11-7-6-9(15)8-13(11)20(17,18)19/h2-8,14H,1H3

2.1.3 InChI Key

FHICZIHQHGRZLE-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CN1C2=CC=CC=C2C(C3=C(S1(=O)=O)C=C(C=C3)Cl)Cl

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 26638-66-4

2. 3,11-dichloro-6-methyl-6,11-dihydrodibenzo[c,f][1,2]thiazepine 5,5-dioxide

3. 3,11-dichloro-6,11-dihydro-6-methyl-5,5-dioxodibenzo[c,f][1,2]thiazepine

4. 3,11-dichloro-6-methyl-11h-benzo[c][2,1]benzothiazepine 5,5-dioxide

5. Dibenzo[c,f][1,2]thiazepine,3,11-dichloro-6,11-dihydro-6-methyl-,5,5-dioxide

6. Rac 3,11-dichloro-6,11-dihydro-6-methyl-dibenzo[c,f][1,2]thiazepine 5,5-dioxide

7. 3,11-dichloro-6,11-dihydro-6-methyldibenzo(c,f)(1,2)thiazepine 5,5-dioxide

8. Tianeptine Thiazepinyl Chloride Impurity

9. Einecs 247-866-8

10. 3,11-dichloro-6,11-dihydro-6-methyldibenzo[c,f][1,2]thiazepine5,5-dioxide

11. Schembl6939270

12. Dtxsid10949471

13. Bcp30700

14. Cs-d1747

15. Ac-323

16. Mfcd09029354

17. Akos015889330

18. As-33020

19. Am20040056

20. Ft-0655286

21. A818541

22. Q-100335

23. 3,11-dichloro-6-methyl-6,11-dihydro-5h-5lambda~6~-dibenzo[c,f][1,2]thiazepine-5,5-dione

24. 3,11-dichloro-6-methyl-6,11-dihydrodibenzo[c,f][1,2]thiazepine 5,5-dioxide, 95%

25. 3,11-dichloro-6-methyl-6,11-dihydrodibenzo[c,f][1,2]thiazepine5,5-dioxide

26. 3,11-dichloro-6,11-dihydro-5,5-dioxo-11-hydroxy-6-methyldibenzo[c,f][1,2]thiazepine

27. 3,11-dichloro-6-methyl-11h-benzo[c][2,1]benzothiazepine 5,5-dioxide;3,11-dichloro-6-methyl-6,11-dihydrodibenzo[c,f][1,2]thiazepine 5,5-dioxide

2.3 Create Date

2007-02-08

3 Chemical and Physical Properties

Molecular Formula	C₁₄H₁₁Cl₂NO₂S
Molecular Weight	328.2 g/mol
XLogP3	3.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Exact Mass	326.9887552 g/mol
Monoisotopic Mass	326.9887552 g/mol
Topological Polar Surface Area	45.8 Å²
Heavy Atom Count	20
Formal Charge	0
Complexity	464
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

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CAS Number

29840-65-1

End Use API

Tianeptine

About the Company

Jinan Chenghui Shuangda Chemical Co., Ltd is subordinate to Chengchuang Pharmaceutical Group, which is fo...

Jinan Chenghui Shuangda Chemical Co., Ltd is subordinate to Chengchuang Pharmaceutical Group, which is formally established in March, 2002. It is a high-tech enterprise professionally producing pharmaceutical intermediates and fine chemical products inland. The company is located in Chengchuang industrial park, high-tech development district, Ji’nan, the capital city of Shandong Province. It is 1km far from Longitude Ten Road which is the main road of Jinan city, 5km from high way surrounding Ji’nan city and 25km from Yaoqiang airport in Ji’nan. It has superior geographic location and the traffic is very convenient.

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