CAS No.: 68373-14-8 — Sulbactam (Sulbactam ( CP45899))

1. Primary Information

English name:	Sulbactam
CAS No.:	68373-14-8
Molecular formula:	C₈H₁₁NO₅S
Molecular weight:	233.24 g/mol
SMILES:	CC1(C(N2C(S1(=O)=O)CC2=O)C(=O)O)C
Structural class:
Other identifiers:	Bétamaze Combactam CP 45899 CP-45899 CP45899

2. Suppliers & Pricing

Supplier	Pack size	Purity	Price (CNY)	Storage conditions	Lead time	Notes
Kehua Intelligence	100mg	Purity≥99%	1144	-20℃	in stock	-
Kehua Intelligence	100mg	94%	44	-20℃	in stock	-
Kehua Intelligence	250mg	94%	80	-20℃	in stock	-
Kehua Intelligence	1g	94%	176	-20℃	in stock	-

3. Structures

3.1 2D structure

3.2 3D structure

-1 -2 -3 26 27 0 1 0 0 0 0 0999 V2000 -1.7330 -0.6838 -0.0123 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.5229 -1.5672 0.8230 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2201 -0.2741 -1.3164 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4418 2.9575 -0.8655 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0889 -0.4788 -0.7794 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4931 0.0797 1.3488 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0963 0.9522 0.3270 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0296 -1.3806 -0.2051 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2284 0.7455 0.9324 C 0 0 1 0 0 0 0 0 0 0 0 0 0.8102 -0.0995 -0.3719 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.5800 2.1665 0.4765 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1697 2.2029 -0.1437 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0336 -2.2732 -1.4453 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3237 -2.1991 1.0464 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1962 -0.1481 0.1855 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1761 0.5751 2.0113 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8602 0.2120 -1.4235 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7215 2.8900 1.2840 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3915 2.2557 -0.2493 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0392 -2.6858 -1.5803 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6693 -3.1096 -1.3633 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2238 -1.7218 -2.3560 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3573 -3.0493 1.1662 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3382 -2.6073 0.9831 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2540 -1.5985 1.9595 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0058 -0.5160 -0.4328 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 3 2 0 0 0 0 1 8 1 0 0 0 0 1 9 1 0 0 0 0 4 12 2 0 0 0 0 5 15 1 0 0 0 0 5 26 1 0 0 0 0 6 15 2 0 0 0 0 7 9 1 0 0 0 0 7 10 1 0 0 0 0 7 12 1 0 0 0 0 8 10 1 0 0 0 0 8 13 1 0 0 0 0 8 14 1 0 0 0 0 9 11 1 0 0 0 0 9 16 1 0 0 0 0 10 15 1 0 0 0 0 10 17 1 0 0 0 0 11 12 1 0 0 0 0 11 18 1 0 0 0 0 11 19 1 0 0 0 0 13 20 1 0 0 0 0 13 21 1 0 0 0 0 13 22 1 0 0 0 0 14 23 1 0 0 0 0 14 24 1 0 0 0 0 14 25 1 0 0 0 0

4. International Nomenclature & Identifiers

4.1 IUPAC Name

(2S,5R)-3,3-dimethyl-4,4,7-trioxo-4λ6-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid

4.2 InChI

InChI=1S/C8H11NO5S/c1-8(2)6(7(11)12)9-4(10)3-5(9)15(8,13)14/h5-6H,3H2,1-2H3,(H,11,12)/t5-,6+/m1/s1

4.3 InChIKey

FKENQMMABCRJMK-RITPCOANSA-N

4.4 Canonical SMILES

CC1(C(N2C(S1(=O)=O)CC2=O)C(=O)O)C

4.5 Isomeric SMILES

CC1([C@@H](N2[C@H](S1(=O)=O)CC2=O)C(=O)O)C

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)