Methylene blue trihydrate
C16H18N3S.Cl.3H2O
7220-79-3 Copyright (C) 2024 ACS
  0  0  0     0  0            999 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS  22 22 0 0 0
M  V30 BEGIN ATOM
M  V30 1 N 1.3337 4.6200 0.0 0
M  V30 2 C 1.3337 3.0800 0.0 0
M  V30 3 C 0.0000 5.3901 0.0 0
M  V30 4 N 12.0033 4.6200 0.0 0
M  V30 5 C 13.3370 5.3901 0.0 0
M  V30 6 C 12.0033 3.0800 0.0 0
M  V30 7 C 5.3348 5.3901 0.0 0
M  V30 8 C 5.3348 6.9301 0.0 0
M  V30 9 S 6.6685 4.6200 0.0 0 CHG=1 VAL=3
M  V30 10 C 4.0010 4.6200 0.0 0
M  V30 11 N 6.6685 7.7001 0.0 0
M  V30 12 C 4.0010 7.7001 0.0 0
M  V30 13 C 8.0022 5.3901 0.0 0
M  V30 14 C 2.6673 5.3901 0.0 0
M  V30 15 C 8.0022 6.9301 0.0 0
M  V30 16 C 2.6673 6.9301 0.0 0
M  V30 17 C 9.3360 4.6200 0.0 0
M  V30 18 C 9.3358 7.7001 0.0 0
M  V30 19 C 10.6697 5.3901 0.0 0
M  V30 20 C 10.6697 6.9301 0.0 0
M  V30 21 Cl 6.6685 1.5400 0.0 0 CHG=-1
M  V30 22 O 6.6685 0.0000 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 1 1 3
M  V30 3 1 1 14
M  V30 4 1 4 5
M  V30 5 1 4 6
M  V30 6 1 4 19
M  V30 7 2 7 8
M  V30 8 1 7 9
M  V30 9 1 7 10
M  V30 10 1 8 11
M  V30 11 1 8 12
M  V30 12 2 9 13
M  V30 13 2 10 14
M  V30 14 2 11 15
M  V30 15 2 12 16
M  V30 16 1 13 15
M  V30 17 1 13 17
M  V30 18 1 14 16
M  V30 19 1 15 18
M  V30 20 2 17 19
M  V30 21 2 18 20
M  V30 22 1 19 20
M  V30 END BOND
M  V30 END CTAB
M  END
> <cas.rn>
7220-79-3

> <cas.index.name>
Phenothiazin-5-ium, 3,7-bis(dimethylamino)-, chloride, hydrate (1:1:3)

> <molecular.formula>
C16H18N3S.Cl.3H2O

> <molecular.weight>
373.90

$$$$
