CAS 137391-68-5

LGM Pharma accelerates & optimizes the new product pathway from early development through commercialization.

Virtual Booth

Contact Supplier

Munit offers scalable GMP micronization and particle size engineering to enhance drug solubility, bioavailability, and performance.

CHEMISTRY

Discover Molecule Insights

BUILDING BLOCK

1 Suppliers, 1 End Use APIs, 6 Related Intermediates

1 Suppliers
1 End Use APIs
6 Related Intermediates

Chemistry

Click the arrow to open the dropdown

Click the button for full data set

Also known as: 137391-68-5, (4-nitrophenyl)methyl (4r)-2-diazo-4-[(2r,3s)-3-[(1r)-1-hydroxyethyl]-4-oxoazetidin-2-yl]-3-oxopentanoate, 2-azetidinebutanoic-alpha-14c acid, alpha-diazo-3-(1-hydroxyethyl)-gamma-methyl-beta,4-dioxo-, (4-nitrophenyl)methyl ester, [2r-[2alpha(r*),3beta(r*)]]- (9ci), (3s,4r)-3-[(1r)-1-hydroxyethyl]-4-[(1r)-1-methyl-3-diazo-3-(p-nitrobenzyloxycarbonyl)-2-oxopropyl]az, (3s,4r)-3-[(1r)-1-hydroxyethyl]-4-[(1r)-1-methyl-3-diazo-3-(p-nitrobenzyloxycarbonyl)-2-oxopropyl]azetidin-2-one, (r)-4-nitrobenzyl 2-diazo-4-((2r,3s)-3-((r)-1-hydroxy-ethyl)-4-oxoazetidin-2-yl)-3-oxopentanoate

Molecular Formula

C₁₇H₁₈N₄O₇

Molecular Weight

390.3 g/mol

InChI Key

FDXUXRZSNNSUGD-NRMKKVEVSA-N

1 2D Structure

CAS 137391-68-5

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

(4-nitrophenyl)methyl (4R)-2-diazo-4-[(2R,3S)-3-[(1R)-1-hydroxyethyl]-4-oxoazetidin-2-yl]-3-oxopentanoate

2.1.2 InChI

InChI=1S/C17H18N4O7/c1-8(13-12(9(2)22)16(24)19-13)15(23)14(20-18)17(25)28-7-10-3-5-11(6-4-10)21(26)27/h3-6,8-9,12-13,22H,7H2,1-2H3,(H,19,24)/t8-,9-,12-,13-/m1/s1

2.1.3 InChI Key

FDXUXRZSNNSUGD-NRMKKVEVSA-N

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 137391-68-5

2. (4-nitrophenyl)methyl (4r)-2-diazo-4-[(2r,3s)-3-[(1r)-1-hydroxyethyl]-4-oxoazetidin-2-yl]-3-oxopentanoate

3. 2-azetidinebutanoic-alpha-14c Acid, Alpha-diazo-3-(1-hydroxyethyl)-gamma-methyl-beta,4-dioxo-, (4-nitrophenyl)methyl Ester, [2r-[2alpha(r*),3beta(r*)]]- (9ci)

4. (3s,4r)-3-[(1r)-1-hydroxyethyl]-4-[(1r)-1-methyl-3-diazo-3-(p-nitrobenzyloxycarbonyl)-2-oxopropyl]az

5. (3s,4r)-3-[(1r)-1-hydroxyethyl]-4-[(1r)-1-methyl-3-diazo-3-(p-nitrobenzyloxycarbonyl)-2-oxopropyl]azetidin-2-one

6. (r)-4-nitrobenzyl 2-diazo-4-((2r,3s)-3-((r)-1-hydroxy-ethyl)-4-oxoazetidin-2-yl)-3-oxopentanoate

7. Schembl306132

8. Dtxsid10720045

9. Fdxuxrzsnnsugd-nrmkkvevsa-n

10. Akos016005347

11. Fh38865

12. F71147

13. 2-azetidinebutanoic-

14. A-14c Acid,

15. A-diazo-3-(1-hydroxyethyl)-

16. A-methyl-

17. A,4-dioxo-, (4-nitrophenyl)methyl Ester, [2r-[2

18. A(r*),3

19. A(r*)]]- (9ci)

20. 2-azetidinebutanoic-a-14c Acid,a-diazo-3-(1-hydroxyethyl)-g-methyl-b,4-dioxo-,(4-nitrophenyl)methyl Ester,[2r-[2a(r*),3b(r*)]]-(9ci)

21. 4-nitrobenzyl (4r)-2-diazo-4-[(2r, 3s)-3-{(1r)-1-hydroxyethyl}-4-oxoazetidin-2-yl]-3-oxopentanoate

22. 4-nitrobenzyl (4r)-2-diazo-4-[(2r,3s)-3-{(1r)-1-hydroxyethyl}-4-oxoazetidin-2-yl]-3-oxopentanoate

23. 4-nitrobenzyl (4r)-2-diazo-4-[(2r,3s)-3-{(1r)-1-hydroxyethyl}-4-oxoazetidin-2-yl]3-oxopentanoate

24. 4-nitrobenzyl (4r)-2diazo-4[(2r,3s)-3-{(1r)-1-hydroxyethyl}-4-oxoazetidin-2-yl]3-oxopentanoate

2.3 Create Date

2012-06-13

3 Chemical and Physical Properties

Molecular Formula	C₁₇H₁₈N₄O₇
Molecular Weight	390.3 g/mol
XLogP3	1.5
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	8
Exact Mass	Da
Monoisotopic Mass	Da
Topological Polar Surface Area	141
Heavy Atom Count	28
Formal Charge	0
Complexity	705
Isotope Atom Count	0
Defined Atom Stereocenter Count	4
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	1
Covalently Bonded Unit Count	1