Prajna Generics

CAS 136285-65-9

Chemistry, 2 End Use API, 45 Related Intermediates

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Also known as: 136285-65-9, Ethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-nitrobenzoate, 2-[1.1-dimethyl ethyl ethoxy carbonyl]amino-3-nitro benzoic acid ethyl ester, Ethyl2-((tert-butoxycarbonyl)amino)-3-nitrobenzoate, Ethyl 2-(boc-amino)-3-nitrobenzoate, Ethyl 2-t-butoxycarbonylamino-3-nitrobenzoate

Molecular Formula

C₁₄H₁₈N₂O₆

Molecular Weight

310.30 g/mol

InChI Key

NYCBXLQKKUBOGV-UHFFFAOYSA-N

1 2D Structure

CAS 136285-65-9

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

ethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-nitrobenzoate

2.1.2 InChI

InChI=1S/C14H18N2O6/c1-5-21-12(17)9-7-6-8-10(16(19)20)11(9)15-13(18)22-14(2,3)4/h6-8H,5H2,1-4H3,(H,15,18)

2.1.3 InChI Key

NYCBXLQKKUBOGV-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CCOC(=O)C1=C(C(=CC=C1)[N+](=O)[O-])NC(=O)OC(C)(C)C

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 136285-65-9

2. Ethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-nitrobenzoate

3. 2-[1.1-dimethyl Ethyl Ethoxy Carbonyl]amino-3-nitro Benzoic Acid Ethyl Ester

4. Ethyl2-((tert-butoxycarbonyl)amino)-3-nitrobenzoate

5. Ethyl 2-(boc-amino)-3-nitrobenzoate

6. Ethyl 2-t-butoxycarbonylamino-3-nitrobenzoate

7. Schembl3874517

8. Mfcd09833364

9. Zinc21989279

10. Akos015891242

11. Bs-50177

12. Sy284370

13. Db-063130

14. Cs-0094655

15. Ft-0737699

16. D88033

17. Ethyl 2 -t-butoxycarbonylamino-3-nitrobenzoate

18. Ethyl 2-(tert-butoxycarbonylamino)-3-nitrobenzoate

19. Ethyl 2-[[(1,1-dimethylethoxy)carbonyl]amino]-3-nitrobenzoate

20. Ethyl 2-{[(tert-butoxy)carbonyl]amino-3-nitrobenzoate

21. 2-[(tert-butyloxycarbonyl)amino]-3-nitrobenzoic Acid Ethyl Ester

2.3 Create Date

2007-02-07

3 Chemical and Physical Properties

Molecular Formula	C₁₄H₁₈N₂O₆
Molecular Weight	310.30 g/mol
XLogP3	3.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	6
Exact Mass	310.11648630 g/mol
Monoisotopic Mass	310.11648630 g/mol
Topological Polar Surface Area	110 Å²
Heavy Atom Count	22
Formal Charge	0
Complexity	426
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

91526-18-0

End Use API

Azilsartan

About the Company

Prajna is an innovation driven pharmaceutical company. We dedicated to Research, Process development and ...

Prajna is an innovation driven pharmaceutical company. We dedicated to Research, Process development and Manufacturing APIs and Advanced Intermediates for Active Pharmaceutical Ingredients (APIs) for the global pharmaceutical companies. It provides value-added services in Contract Research, Custom Synthesis, and Specialties Scientific technology (Green Process, APIs Process Development, Polymorphism, Crystallisation and Purification) for Pharmaceutical and Life Sciences industry.

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