CAS 17526-94-2

Chemistry, 1 End Use API, 12 Related Intermediates

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Also known as: 17526-94-2, 3,3'-(4-methylbenzene-1,3-diyl)bis(1,1-dimethylurea), 3-[3-(dimethylcarbamoylamino)-4-methylphenyl]-1,1-dimethylurea, 22x7s855o6, Nsc-375994, 3,3'-(4-methyl-1,3-phenylene) bis (1,1-dimethylurea)

Molecular Formula

C₁₃H₂₀N₄O₂

Molecular Weight

264.32 g/mol

InChI Key

KDQTUCKOAOGTLT-UHFFFAOYSA-N

FDA UNII

22X7S855O6

1 2D Structure

CAS 17526-94-2

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

3-[3-(dimethylcarbamoylamino)-4-methylphenyl]-1,1-dimethylurea

2.1.2 InChI

InChI=1S/C13H20N4O2/c1-9-6-7-10(14-12(18)16(2)3)8-11(9)15-13(19)17(4)5/h6-8H,1-5H3,(H,14,18)(H,15,19)

2.1.3 InChI Key

KDQTUCKOAOGTLT-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CC1=C(C=C(C=C1)NC(=O)N(C)C)NC(=O)N(C)C

2.2 Other Identifiers

2.2.1 UNII

22X7S855O6

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 17526-94-2

2. 3,3'-(4-methylbenzene-1,3-diyl)bis(1,1-dimethylurea)

3. 3-[3-(dimethylcarbamoylamino)-4-methylphenyl]-1,1-dimethylurea

4. 22x7s855o6

5. Nsc-375994

6. 3,3'-(4-methyl-1,3-phenylene) Bis (1,1-dimethylurea)

7. Urea, N,n''-(4-methyl-1,3-phenylene)bis(n',n'-dimethyl-

8. N,n''-(4-methyl-1,3-phenylene)bis(n',n'-dimethylurea)

9. 3,3'-(4-methyl-1,3-phenylene) Bis(1,1-dimethylurea)

10. 3,3/'-(4-methyl-1,3-phenylene) Bis (1,1-dimethylurea)

11. N,n''-(4-methyl-1,3-phenylene)bis[n',n'-dimethylurea]

12. Unii-22x7s855o6

13. Einecs 241-523-6

14. 2,4-bis(3,3-dimethylureido)toluene

15. Nsc375994

16. Nsc 375994

17. Ec 241-523-6

18. Dsstox_cid_24606

19. Dsstox_rid_80346

20. Dsstox_gsid_44606

21. Schembl138240

22. Chembl3186043

23. Dtxsid0044606

24. Urea,n,n''-(4-methyl-1,3-phenylene)bis[n',n'-dimethyl-

25. Zinc395074

26. Amy28670

27. Tox21_302673

28. U 410m

29. Akos015961000

30. Ncgc00256865-01

31. Ac-12734

32. As-75554

33. Cas-17526-94-2

34. Cs-0448453

35. Ft-0726230

36. 2,4-tolylenebis(n',n'-dimethylurea)

37. 2,4-bis(dimethylaminocarbonylamino)toluene

38. N,n'-bis(dimethylcarbamoyl)-2,4-toluidine

39. 1,1'-(4-methyl-m-phenylene)bis(3,3-dimethylurea)

40. 1,-(4-methyl-1,3-phenylene)bis(3,3-dimethylurea)

41. Q27253683

42. N,n''-(4-methyl-m-phenylene)bis(n',n'-dimethylurea)

43. 1,1'-(4-methyl-m-phenylene)bis(3,3'-dimethylurea)

44. N,n-(4-methyl-1,3-phenylene) Bis(n',n'-dimethylurea)

45. Urea, 1,1'-(4-methyl-m-phenylene)bis(3,3-dimethyl-

46. 3-(5-(dimethylcarbamoylamino)-2-methylphenyl)-1,1-dimethyl Urea

2.4 Create Date

2005-03-26

3 Chemical and Physical Properties

Molecular Formula	C₁₃H₂₀N₄O₂
Molecular Weight	264.32 g/mol
XLogP3	1
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	264.15862589 g/mol
Monoisotopic Mass	264.15862589 g/mol
Topological Polar Surface Area	64.7 Å²
Heavy Atom Count	19
Formal Charge	0
Complexity	331
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

120511-72-0

End Use API

Anastrozole

About the Company

Innovassynth Technologies (I) Ltd. formerly known as Chemicals Division of Indian Organic Chemicals Ltd. ...

Innovassynth Technologies (I) Ltd. formerly known as Chemicals Division of Indian Organic Chemicals Ltd. came in to existence since 1st August 2002. It is a part of the well-known business group involved in activities like polyester fiber, polymers, pre-forms, and computer software among others. The company is catering to the needs of customers in the area of 'knowledge based R & D services' for the last 5 years, which include: Contract R & D, Custom Synthesis and Contract Manufacture In a very short period the company has established its name as a reliable partner in above area of activities and has joined hands with many prestigious companies in the field. The company has identified NUCLEOSIDES as a niche area and earned reputation as a supplier of various protected Nucleosides and a partner for Process research. The company is involved in business with well-known companies in various fields like pharmaceuticals, perfumes, agro chemicals, and fine and specialty chemicals. With two sites at its disposal, one already active at Khopoli near Mumbai and the other in the development stage at Chennai. It has already set up a cGMP Pilot Plant Facility where 10-15 Kg batch size is possible. It is going for US FDA approval in near future.

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