Shamrock Medicaments

CAS 139756-00-6

Chemistry, 1 End Use API, 9 Related Intermediates

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Also known as: 139756-00-6, 1h-pyrazole-5-carboxylic acid, 1-methyl-4-nitro-3-propyl-, 2-methyl-4-nitro-5-propylpyrazole-3-carboxylic acid, 1-methyl-2-nitro-3-propyl-1h-pyrazole-5-carboxylic acid, Schembl1115, Oprea1_507899

Molecular Formula

C₈H₁₁N₃O₄

Molecular Weight

213.19 g/mol

InChI Key

GFORSNBMYCLGIE-UHFFFAOYSA-N

1 2D Structure

CAS 139756-00-6

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

2-methyl-4-nitro-5-propylpyrazole-3-carboxylic acid

2.1.2 InChI

InChI=1S/C8H11N3O4/c1-3-4-5-6(11(14)15)7(8(12)13)10(2)9-5/h3-4H2,1-2H3,(H,12,13)

2.1.3 InChI Key

GFORSNBMYCLGIE-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CCCC1=NN(C(=C1[N+](=O)[O-])C(=O)O)C

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 139756-00-6

2. 1h-pyrazole-5-carboxylic Acid, 1-methyl-4-nitro-3-propyl-

3. 2-methyl-4-nitro-5-propylpyrazole-3-carboxylic Acid

4. 1-methyl-2-nitro-3-propyl-1h-pyrazole-5-carboxylic Acid

5. Schembl1115

6. Oprea1_507899

7. Dtxsid00373029

8. Zinc168938

9. Bcp18689

10. Mfcd02110857

11. Akos004909106

12. Am97558

13. S12023

14. Ac-27028

15. As-19964

16. Db-042485

17. Cs-0166496

18. Ft-0643315

19. 756m006

20. Sr-01000448247

21. 1-methyl-4-nitro-3propylpyrazole-5-carboxylic Acid

22. J-007312

23. J-803031

24. Sr-01000448247-1

25. 1-methyl-4-nitro-3-propyl-1h-5-pyrazole Carboxylic Acid

26. 2-methyl-4-nitro-5-propyl-2h-pyrazole-3-carboxylic Acid

27. 1-methyl-4-nitro-3-propyl-1h-pyrazole-5-carboxylic Acid? (sildenafil Impurity

28. 1-methyl-4-nitro-3-propylpyrazole-5-carboxylic Acid, Sildenafil Citrate Impurity

29. Sildenafil Impurity ((1-methyl-4-nitro -3-n-propyl Pyrazole-5- Carboxylic Acid)

2.3 Create Date

2005-07-19

3 Chemical and Physical Properties

Molecular Formula	C₈H₁₁N₃O₄
Molecular Weight	213.19 g/mol
XLogP3	1.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	3
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	101
Heavy Atom Count	15
Formal Charge	0
Complexity	265
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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1,1-carbonyldiimidazole

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CAS Number

530-62-1

End Use API

Sildenafil Citrate

About the Company

Shamrock Medicaments Ltd, formerly known as Doctor Lifeline Remedies India Ltd, has an intriguing evoluti...

Shamrock Medicaments Ltd, formerly known as Doctor Lifeline Remedies India Ltd, has an intriguing evolution. Established within the robust Shamrock Group in 2001 with a hefty $35 million investment, its inception aimed to cater to the global pharmaceutical market by leveraging India's capabilities. Over time, the company diversified its offerings, expanding into custom manufacturing of pharmaceutical raw materials, intermediates, and chemicals pertinent to the pharmaceutical industry. This strategic expansion likely enabled Shamrock Medicaments Ltd to cement its position as a significant player in the pharmaceutical landscape.

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