CAS 127626-37-3

Chemistry, 1 End Use API, 4 Related Intermediates

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Also known as: 127626-37-3, (4-nitrophenyl)methyl (2s,4r)-2-(hydroxymethyl)-4-methylsulfonyloxypyrrolidine-1-carboxylate, 4-nitrobenzyl (2s,4r)-2-(hydroxymethyl)-4-[(methylsulfonyl)oxy]-1-pyrrolidinecarboxylate, (2s,4r)-2-(hydroxymethyl)-4-[(methylsulfonyl)oxy]-1-pyrrolidinecarboxylic acid (4-nitrophenyl)methyl, Schembl7805407, Dtxsid30582324

Molecular Formula

C₁₄H₁₈N₂O₈S

Molecular Weight

374.37 g/mol

InChI Key

VEJXAWBFJHWZOI-QWHCGFSZSA-N

1 2D Structure

CAS 127626-37-3

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

(4-nitrophenyl)methyl (2S,4R)-2-(hydroxymethyl)-4-methylsulfonyloxypyrrolidine-1-carboxylate

2.1.2 InChI

InChI=1S/C14H18N2O8S/c1-25(21,22)24-13-6-12(8-17)15(7-13)14(18)23-9-10-2-4-11(5-3-10)16(19)20/h2-5,12-13,17H,6-9H2,1H3/t12-,13+/m0/s1

2.1.3 InChI Key

VEJXAWBFJHWZOI-QWHCGFSZSA-N

2.1.4 Canonical SMILES

CS(=O)(=O)OC1CC(N(C1)C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])CO

2.1.5 Isomeric SMILES

CS(=O)(=O)O[C@@H]1C[C@H](N(C1)C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])CO

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 127626-37-3

2. (4-nitrophenyl)methyl (2s,4r)-2-(hydroxymethyl)-4-methylsulfonyloxypyrrolidine-1-carboxylate

3. 4-nitrobenzyl (2s,4r)-2-(hydroxymethyl)-4-[(methylsulfonyl)oxy]-1-pyrrolidinecarboxylate

4. (2s,4r)-2-(hydroxymethyl)-4-[(methylsulfonyl)oxy]-1-pyrrolidinecarboxylic Acid (4-nitrophenyl)methyl

5. Schembl7805407

6. Dtxsid30582324

7. Zinc35070700

8. (2s,4r)-1-p-nitrobenzyloxycarbonyl-4-methanesulfonyloxypyrrolidine-2-methanol

9. Akos015966738

10. Ac-22621

11. (2s,4r)-2-hydroxymethyl-4-methylsulfonylxypyrrolidine-1-carboxylic Acid=4-nitrobenzyl

12. (2s,trans)-4-nitrobenzyl2-(hydroxymethyl)-4-((methylsulfonyl)oxy)pyrrolidine-1-carboxylate

13. (4-nitrophenyl)methyl (2s,4r)-2-(hydroxymethyl)-4-[(methanesulfonyl)oxy]pyrrolidine-1-carboxylate

2.3 Create Date

2007-06-18

3 Chemical and Physical Properties

Molecular Formula	C₁₄H₁₈N₂O₈S
Molecular Weight	374.37 g/mol
XLogP3	0.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	6
Exact Mass	374.07838671 g/mol
Monoisotopic Mass	374.07838671 g/mol
Topological Polar Surface Area	147 Å²
Heavy Atom Count	25
Formal Charge	0
Complexity	577
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
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

127626-37-3

End Use API

Doripenem

About the Company

Beijing Lunarsun pharma is a professional manufacturer of API and intermediates. The factory is approved ...

Beijing Lunarsun pharma is a professional manufacturer of API and intermediates. The factory is approved by US FDA. According to EU and US FDA's requirement, we supply following APIs and their intermediates with good quality and competitive price: Aztreonam,Doripenem, Dronedarone Hcl ,Erlotinib HCL, Febuxostat,Gemcitabine HCL, Ivabradine, Imatinib mesylate, Mecobalamin,Moxifloxacin, Nelarabine,Pemetrexed disodium, Posaconazole, Temozolomide, Voriconazole, Tebipenem pivoxil.NOTE: Products covered by valid patents in any country are not offered or supplied to these countries for commercial purpose.

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