Sulbactam pivoxil
C14H21NO7S
69388-79-0 Copyright (C) 2024 ACS
  0  0  0     0  0            999 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS  24 25 0 0 1
M  V30 BEGIN ATOM
M  V30 1 C 5.0170 4.6469 0.0 0
M  V30 2 O 6.3506 3.8769 0.0 0
M  V30 3 O 5.0170 6.1869 0.0 0
M  V30 4 C 7.6843 4.6469 0.0 0
M  V30 5 O 9.0181 3.8769 0.0 0
M  V30 6 C 10.3518 4.6469 0.0 0
M  V30 7 C 11.6855 3.8769 0.0 0
M  V30 8 O 10.3518 6.1869 0.0 0
M  V30 9 C 10.9155 2.5431 0.0 0
M  V30 10 C 13.0191 3.1069 0.0 0
M  V30 11 C 12.4555 5.2106 0.0 0
M  V30 12 O 5.1340 0.0000 0.0 0
M  V30 13 O 0.2155 4.5032 0.0 0
M  V30 14 O 0.0000 2.4536 0.0 0
M  V30 15 C 3.0463 5.8369 0.0 0
M  V30 16 C 1.0304 5.4084 0.0 0
M  V30 17 N 3.5222 2.3452 0.0 0
M  V30 18 C 2.0159 2.0250 0.0 0 CFG=1
M  V30 19 C 3.6833 3.8769 0.0 0 CFG=1
M  V30 20 C 3.8424 0.8389 0.0 0
M  V30 21 S 1.2459 3.3587 0.0 0 VAL=6
M  V30 22 C 2.3361 0.5187 0.0 0
M  V30 23 C 2.2763 4.5032 0.0 0
M  V30 24 H 0.5781 1.4732 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 19 1 CFG=3
M  V30 4 1 2 4
M  V30 5 1 4 5
M  V30 6 1 5 6
M  V30 7 1 6 7
M  V30 8 2 6 8
M  V30 9 1 7 9
M  V30 10 1 7 10
M  V30 11 1 7 11
M  V30 12 2 12 20
M  V30 13 2 13 21
M  V30 14 2 14 21
M  V30 15 1 15 23
M  V30 16 1 16 23
M  V30 17 1 17 18
M  V30 18 1 17 19
M  V30 19 1 17 20
M  V30 20 1 18 21
M  V30 21 1 18 22
M  V30 22 1 18 24 CFG=3
M  V30 23 1 19 23
M  V30 24 1 20 22
M  V30 25 1 21 23
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STEABS ATOMS=(2 18 19)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
> <cas.rn>
69388-79-0

> <cas.index.name>
4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 3,3-dimethyl-7-oxo-, (2,2-dimethyl-1-oxopropoxy)methyl ester, 4,4-dioxide, (2S,5R)-

> <molecular.formula>
C14H21NO7S

> <molecular.weight>
347.39

> <boiling.point.predicted>
537.5±50.0 °C    Press: 760 Torr

> <density.predicted>
1.37±0.1 g/cm3    Temp: 20 °C; Press: 760 Torr

> <pka.predicted>
-3.75±0.60    Most Basic Temp: 25 °C

$$$$
