CAS No.: 68401-81-0 — Ceftizoxime (头孢唑肟)

1. Primary Information

English name:	Ceftizoxime
CAS No.:	68401-81-0
Molecular formula:	C₁₃H₁₃N₅O₅S₂
Molecular weight:	383.4 g/mol
SMILES:	CON=C(C1=CSC(=N1)N)C(=O)NC2C3N(C2=O)C(=CCS3)C(=O)O
Structural class:
Other identifiers:	Cefizox Ceftizoxime Ceftizoxime Monosodium Salt Ceftizoxime Sodium FK 749

2. Suppliers & Pricing

Supplier	Pack size	Purity	Price (CNY)	Storage conditions	Lead time	Notes
Kehua Intelligence	100mg	HPLC≥98%	400	2-8℃,避光	in stock	-
Kehua Intelligence	1g	98%	72	2-8℃,避光	in stock	-
Kehua Intelligence	5g	98%	232	2-8℃,避光	in stock	-

3. Structures

3.1 2D structure

3.2 3D structure

-1 -2 -3 38 40 0 1 0 0 0 0 0999 V2000 -1.7741 0.9202 -2.4039 S 0 0 0 0 0 0 0 0 0 0 0 0 2.6883 -3.2925 0.2094 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.8411 0.2049 2.2164 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3473 -0.7261 1.8291 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1798 1.3029 2.0555 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6872 -2.4433 0.3576 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9629 2.8175 0.0112 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7221 0.4553 0.0477 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2215 1.2688 -0.0872 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3996 1.4984 -0.1739 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0198 -1.1715 -0.4317 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0966 -3.2200 -0.9160 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2538 1.5572 -0.7763 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.1237 1.7214 0.2651 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.9258 0.6862 1.1111 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6823 -0.4087 -0.3503 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4400 0.2620 -2.7834 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0605 -0.5017 -1.6373 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2265 1.1097 0.8513 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2926 -1.3205 0.6185 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5246 0.6368 0.2497 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8294 -0.7918 0.1205 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9716 -1.7678 0.5298 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0577 -2.4855 -0.4374 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9722 3.6883 -0.4755 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9585 2.3971 -0.8023 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1011 2.7185 0.7202 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4437 1.0617 -1.0582 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3337 -0.4065 -3.6436 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0987 1.0855 -3.0769 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8437 -1.2008 -1.9239 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7511 -1.3080 2.5078 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9940 -1.6945 0.9852 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9250 -2.7830 -1.3063 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0856 -4.2345 -0.9011 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1405 3.5168 -1.5433 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9029 3.5412 0.0813 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6378 4.7194 -0.3341 H 0 0 0 0 0 0 0 0 0 0 0 0 1 13 1 0 0 0 0 1 17 1 0 0 0 0 2 23 1 0 0 0 0 2 24 1 0 0 0 0 3 15 2 0 0 0 0 4 20 1 0 0 0 0 4 32 1 0 0 0 0 5 19 2 0 0 0 0 6 20 2 0 0 0 0 7 10 1 0 0 0 0 7 25 1 0 0 0 0 8 13 1 0 0 0 0 8 15 1 0 0 0 0 8 16 1 0 0 0 0 9 14 1 0 0 0 0 9 19 1 0 0 0 0 9 28 1 0 0 0 0 10 21 2 0 0 0 0 11 22 1 0 0 0 0 11 24 2 0 0 0 0 12 24 1 0 0 0 0 12 34 1 0 0 0 0 12 35 1 0 0 0 0 13 14 1 0 0 0 0 13 26 1 0 0 0 0 14 15 1 0 0 0 0 14 27 1 0 0 0 0 16 18 2 0 0 0 0 16 20 1 0 0 0 0 17 18 1 0 0 0 0 17 29 1 0 0 0 0 17 30 1 0 0 0 0 18 31 1 0 0 0 0 19 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 23 33 1 0 0 0 0 25 36 1 0 0 0 0 25 37 1 0 0 0 0 25 38 1 0 0 0 0

4. International Nomenclature & Identifiers

4.1 IUPAC Name

(6R,7R)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

4.2 InChI

InChI=1S/C13H13N5O5S2/c1-23-17-7(5-4-25-13(14)15-5)9(19)16-8-10(20)18-6(12(21)22)2-3-24-11(8)18/h2,4,8,11H,3H2,1H3,(H2,14,15)(H,16,19)(H,21,22)/b17-7-/t8-,11-/m1/s1

4.3 InChIKey

NNULBSISHYWZJU-LLKWHZGFSA-N

4.4 Canonical SMILES

CON=C(C1=CSC(=N1)N)C(=O)NC2C3N(C2=O)C(=CCS3)C(=O)O

4.5 Isomeric SMILES

CO/N=C(/C1=CSC(=N1)N)\C(=O)N[C@H]2[C@@H]3N(C2=O)C(=CCS3)C(=O)O

4.6 SDF file

Coming soon

5. Spectroscopic data

5.1 ¹³C nuclear magnetic resonance (¹³C NMR)

5.2 ¹H nuclear magnetic resonance (¹H NMR)

5.3 Mass spectrometry (MS)

Coming soon

5.4 Infrared spectroscopy (IR)

Coming soon

5.5 Ultraviolet/visible spectroscopy (UV/Vis)

Coming soon

1. Primary Information

2. Suppliers & Pricing

3. Structures

3.1 2D structure

3.2 3D structure

4. International Nomenclature & Identifiers

4.1 IUPAC Name

4.2 InChI

4.3 InChIKey

4.4 Canonical SMILES

4.5 Isomeric SMILES

4.6 SDF file

5. Spectroscopic data

5.1 13C nuclear magnetic resonance (13C NMR)

5.2 1H nuclear magnetic resonance (1H NMR)

5.3 Mass spectrometry (MS)

5.4 Infrared spectroscopy (IR)

5.5 Ultraviolet/visible spectroscopy (UV/Vis)

5.1 ¹³C nuclear magnetic resonance (¹³C NMR)

5.2 ¹H nuclear magnetic resonance (¹H NMR)