Cefuroxime
C16H16N4O8S
55268-75-2 Copyright (C) 2024 ACS
  0  0  0     0  0            999 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS  30 32 0 0 1
M  V30 BEGIN ATOM
M  V30 1 C 10.5151 9.0029 0.0 0
M  V30 2 O 11.8487 9.7729 0.0 0
M  V30 3 O 9.1814 9.7729 0.0 0
M  V30 4 O 6.5525 7.7818 0.0 0
M  V30 5 N 6.5525 4.0639 0.0 0
M  V30 6 C 5.0648 4.4625 0.0 0
M  V30 7 C 3.9759 3.3736 0.0 0
M  V30 8 O 4.6662 5.9502 0.0 0
M  V30 9 N 4.3744 1.8861 0.0 0
M  V30 10 O 5.8621 1.4875 0.0 0
M  V30 11 C 6.2606 0.0000 0.0 0
M  V30 12 C 13.1824 7.4629 0.0 0
M  V30 13 O 14.5162 6.6929 0.0 0
M  V30 14 C 15.8498 7.4629 0.0 0
M  V30 15 N 15.8498 9.0029 0.0 0
M  V30 16 O 17.1835 6.6929 0.0 0
M  V30 17 N 9.1814 6.6929 0.0 0
M  V30 18 C 9.1814 5.1529 0.0 0 CFG=2
M  V30 19 C 10.5151 7.4629 0.0 0
M  V30 20 C 7.6414 6.6929 0.0 0
M  V30 21 C 7.6414 5.1529 0.0 0 CFG=2
M  V30 22 S 10.5151 4.3829 0.0 0
M  V30 23 C 11.8487 6.6929 0.0 0
M  V30 24 C 11.8487 5.1529 0.0 0
M  V30 25 C 2.4884 3.7723 0.0 0
M  V30 26 C 1.2916 2.8030 0.0 0
M  V30 27 O 1.9364 5.2099 0.0 0
M  V30 28 C 0.0000 3.6418 0.0 0
M  V30 29 C 0.3986 5.1293 0.0 0
M  V30 30 H 8.7827 3.6654 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 2 1 3
M  V30 3 1 1 19
M  V30 4 2 4 20
M  V30 5 1 5 6
M  V30 6 1 21 5 CFG=3
M  V30 7 1 6 7
M  V30 8 2 6 8
M  V30 9 2 7 9
M  V30 10 1 7 25
M  V30 11 1 9 10
M  V30 12 1 10 11
M  V30 13 1 12 13
M  V30 14 1 12 23
M  V30 15 1 13 14
M  V30 16 1 14 15
M  V30 17 2 14 16
M  V30 18 1 17 18
M  V30 19 1 17 19
M  V30 20 1 17 20
M  V30 21 1 18 21
M  V30 22 1 18 22
M  V30 23 1 18 30 CFG=1
M  V30 24 2 19 23
M  V30 25 1 20 21
M  V30 26 1 22 24
M  V30 27 1 23 24
M  V30 28 2 25 26
M  V30 29 1 25 27
M  V30 30 1 26 28
M  V30 31 1 27 29
M  V30 32 2 28 29
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STEABS ATOMS=(2 18 21)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
> <cas.rn>
55268-75-2

> <cas.index.name>
5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 3-[[(aminocarbonyl)oxy]methyl]-7-[[(2Z)-2-(2-furanyl)-2-(methoxyimino)acetyl]amino]-8-oxo-, (6R,7R)-

> <molecular.formula>
C16H16N4O8S

> <molecular.weight>
424.39

> <melting.point.experimental>
171.5-173 °C (decomp)

> <density.predicted>
1.76±0.1 g/cm3    Temp: 20 °C; Press: 760 Torr

> <pka.predicted>
2.59±0.50    Most Acidic Temp: 25 °C

$$$$
