Cefadroxil
C16H17N3O5S
50370-12-2 Copyright (C) 2024 ACS
  0  0  0     0  0            999 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS  26 28 0 0 1
M  V30 BEGIN ATOM
M  V30 1 C 2.1779 1.0890 0.0 0
M  V30 2 O 3.2669 0.0000 0.0 0
M  V30 3 O 0.6902 0.6904 0.0 0
M  V30 4 O 6.3215 1.2428 0.0 0
M  V30 5 N 7.2839 4.8341 0.0 0
M  V30 6 C 8.6175 4.0641 0.0 0
M  V30 7 C 9.9512 4.8341 0.0 0 CFG=1
M  V30 8 O 8.6175 2.5241 0.0 0
M  V30 9 N 9.9512 6.3742 0.0 0
M  V30 10 C 0.0000 3.2669 0.0 0
M  V30 11 O 15.2860 1.7541 0.0 0
M  V30 12 N 4.0640 2.9752 0.0 0
M  V30 13 C 4.4625 4.4627 0.0 0 CFG=2
M  V30 14 C 2.5765 2.5766 0.0 0
M  V30 15 C 5.5515 2.5766 0.0 0
M  V30 16 C 5.9502 4.0641 0.0 0 CFG=2
M  V30 17 S 3.3736 5.5516 0.0 0
M  V30 18 C 1.4875 3.6656 0.0 0
M  V30 19 C 1.8861 5.1531 0.0 0
M  V30 20 C 11.2850 4.0641 0.0 0
M  V30 21 C 12.6187 4.8341 0.0 0
M  V30 22 C 11.2850 2.5241 0.0 0
M  V30 23 C 13.9523 4.0641 0.0 0
M  V30 24 C 12.6187 1.7541 0.0 0
M  V30 25 C 13.9523 2.5241 0.0 0
M  V30 26 H 5.2325 5.7963 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 14
M  V30 4 2 4 15
M  V30 5 1 5 6
M  V30 6 1 16 5 CFG=3
M  V30 7 1 6 7
M  V30 8 2 6 8
M  V30 9 1 7 9 CFG=3
M  V30 10 1 7 20
M  V30 11 1 10 18
M  V30 12 1 11 25
M  V30 13 1 12 13
M  V30 14 1 12 14
M  V30 15 1 12 15
M  V30 16 1 13 16
M  V30 17 1 13 17
M  V30 18 1 13 26 CFG=1
M  V30 19 2 14 18
M  V30 20 1 15 16
M  V30 21 1 17 19
M  V30 22 1 18 19
M  V30 23 2 20 21
M  V30 24 1 20 22
M  V30 25 1 21 23
M  V30 26 2 22 24
M  V30 27 2 23 25
M  V30 28 1 24 25
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STEABS ATOMS=(3 7 13 16)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
> <cas.rn>
50370-12-2

> <cas.index.name>
5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 7-[[(2R)-2-amino-2-(4-hydroxyphenyl)acetyl]amino]-3-methyl-8-oxo-, (6R,7R)-

> <molecular.formula>
C16H17N3O5S

> <molecular.weight>
363.39

> <boiling.point.predicted>
789.9±60.0 °C    Press: 760 Torr

> <density.experimental>
1.39 g/cm³    Temp: 25 °C

> <pka.predicted>
3.12±0.50    Most Acidic Temp: 25 °C

$$$$
