Dantrolene
C14H10N4O5
7261-97-4 Copyright (C) 2024 ACS
  0  0  0     0  0            999 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS  23 25 0 0 0
M  V30 BEGIN ATOM
M  V30 1 C 5.8577 4.9772 0.0 0
M  V30 2 N 4.9526 6.2231 0.0 0
M  V30 3 N 15.1615 1.5400 0.0 0 VAL=5
M  V30 4 O 15.1615 0.0000 0.0 0
M  V30 5 O 16.4953 2.3101 0.0 0
M  V30 6 O 2.7106 8.7129 0.0 0
M  V30 7 O 0.0000 4.0181 0.0 0
M  V30 8 C 9.8266 4.6201 0.0 0
M  V30 9 O 8.4198 3.9936 0.0 0
M  V30 10 C 9.6657 6.1517 0.0 0
M  V30 11 C 7.3894 5.1382 0.0 0
M  V30 12 C 8.1594 6.4718 0.0 0
M  V30 13 C 11.1605 3.8501 0.0 0
M  V30 14 C 12.4941 4.6201 0.0 0
M  V30 15 C 11.1605 2.3101 0.0 0
M  V30 16 C 13.8278 3.8501 0.0 0
M  V30 17 C 12.4941 1.5400 0.0 0
M  V30 18 C 13.8278 2.3101 0.0 0
M  V30 19 N 3.4209 6.0620 0.0 0
M  V30 20 C 2.6509 4.7284 0.0 0
M  V30 21 C 2.3904 7.2066 0.0 0
M  V30 22 C 1.1446 5.0485 0.0 0
M  V30 23 N 0.9836 6.5803 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2 CFG=2
M  V30 2 1 1 11
M  V30 3 1 2 19
M  V30 4 2 3 4
M  V30 5 2 3 5
M  V30 6 1 3 18
M  V30 7 2 6 21
M  V30 8 2 7 22
M  V30 9 1 8 9
M  V30 10 2 8 10
M  V30 11 1 8 13
M  V30 12 1 9 11
M  V30 13 1 10 12
M  V30 14 2 11 12
M  V30 15 2 13 14
M  V30 16 1 13 15
M  V30 17 1 14 16
M  V30 18 2 15 17
M  V30 19 2 16 18
M  V30 20 1 17 18
M  V30 21 1 19 20
M  V30 22 1 19 21
M  V30 23 1 20 22
M  V30 24 1 21 23
M  V30 25 1 22 23
M  V30 END BOND
M  V30 END CTAB
M  END
> <cas.rn>
7261-97-4

> <cas.index.name>
2,4-Imidazolidinedione, 1-[[[5-(4-nitrophenyl)-2-furanyl]methylene]amino]-

> <molecular.formula>
C14H10N4O5

> <molecular.weight>
314.25

> <melting.point.experimental>
279 °C

> <density.predicted>
1.57±0.1 g/cm3    Temp: 20 °C; Press: 760 Torr

> <pka.predicted>
7.68±0.10    Most Acidic Temp: 25 °C

$$$$
