Pemetrexed disodium heptahydrate
C20H21N5O6.7H2O.2Na
357166-29-1 Copyright (C) 2024 ACS
  0  0  0     0  0            999 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS  33 33 0 0 0
M  V30 BEGIN ATOM
M  V30 1 C 5.8785 8.4147 0.0 0
M  V30 2 C 6.6485 7.0811 0.0 0
M  V30 3 O 5.2181 11.6429 0.0 0
M  V30 4 N 0.0000 12.7521 0.0 0
M  V30 5 C 12.8085 7.0811 0.0 0
M  V30 6 N 13.5785 5.7474 0.0 0
M  V30 7 O 13.5785 8.4147 0.0 0
M  V30 8 C 15.1185 5.7474 0.0 0 CFG=2
M  V30 9 C 15.8885 7.0811 0.0 0
M  V30 10 C 15.8885 4.4138 0.0 0
M  V30 11 C 17.4285 7.0811 0.0 0
M  V30 12 O 15.1185 3.0800 0.0 0
M  V30 13 O 17.4285 4.4138 0.0 0
M  V30 14 C 18.1985 8.4147 0.0 0
M  V30 15 O 19.7385 8.4147 0.0 0
M  V30 16 O 17.4285 9.7485 0.0 0
M  V30 17 C 3.4333 9.6607 0.0 0
M  V30 18 C 4.3385 8.4147 0.0 0
M  V30 19 C 1.9687 9.1847 0.0 0
M  V30 20 C 3.7534 11.1670 0.0 0
M  V30 21 C 3.4333 7.1689 0.0 0
M  V30 22 N 1.9687 7.6447 0.0 0
M  V30 23 N 0.8242 10.2153 0.0 0
M  V30 24 N 2.6091 12.1974 0.0 0
M  V30 25 C 1.1444 11.7216 0.0 0
M  V30 26 C 8.1885 7.0811 0.0 0
M  V30 27 C 8.9585 8.4147 0.0 0
M  V30 28 C 8.9585 5.7474 0.0 0
M  V30 29 C 10.4985 8.4147 0.0 0
M  V30 30 C 10.4985 5.7474 0.0 0
M  V30 31 C 11.2685 7.0811 0.0 0
M  V30 32 Na 9.8692 1.5400 0.0 0 VAL=-1
M  V30 33 O 9.8692 0.0000 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 1 1 18
M  V30 3 1 2 26
M  V30 4 2 3 20
M  V30 5 1 4 25
M  V30 6 1 5 6
M  V30 7 2 5 7
M  V30 8 1 5 31
M  V30 9 1 6 8
M  V30 10 1 8 9 CFG=1
M  V30 11 1 8 10
M  V30 12 1 9 11
M  V30 13 1 10 12
M  V30 14 2 10 13
M  V30 15 1 11 14
M  V30 16 1 14 15
M  V30 17 2 14 16
M  V30 18 1 17 18
M  V30 19 2 17 19
M  V30 20 1 17 20
M  V30 21 2 18 21
M  V30 22 1 19 22
M  V30 23 1 19 23
M  V30 24 1 20 24
M  V30 25 1 21 22
M  V30 26 1 23 25
M  V30 27 2 24 25
M  V30 28 2 26 27
M  V30 29 1 26 28
M  V30 30 1 27 29
M  V30 31 2 28 30
M  V30 32 2 29 31
M  V30 33 1 30 31
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STEABS ATOMS=(1 8)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
> <cas.rn>
357166-29-1

> <cas.index.name>
L-Glutamic acid, N-[4-[2-(2-amino-4,7-dihydro-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoyl]-, sodium salt, hydrate (1:2:7)

> <molecular.formula>
C20H21N5O6.7H2O.2Na

> <molecular.weight>
599.50

$$$$
