(1R,3R)-2-(2-Fluoro-2-methylpropyl)-2,3,4,9-tetrahydro-3-methyl-1-[4-[(1-prop...
C28H36FN3O
2092925-89-6 Copyright (C) 2024 ACS
  0  0  0     0  0            999 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS  33 37 0 0 1
M  V30 BEGIN ATOM
M  V30 1 C 2.6673 8.9402 0.0 0
M  V30 2 C 1.3337 9.7102 0.0 0
M  V30 3 C 2.1037 11.0439 0.0 0
M  V30 4 C 0.0000 10.4802 0.0 0
M  V30 5 F 0.5637 8.3766 0.0 0
M  V30 6 C 0.0000 7.4002 0.0 0
M  V30 7 O 9.3360 9.7102 0.0 0
M  V30 8 C 13.8896 7.0812 0.0 0
M  V30 9 C 15.2232 7.8512 0.0 0
M  V30 10 C 16.5569 7.0812 0.0 0
M  V30 11 C 4.0012 5.0901 0.0 0
M  V30 12 C 4.0012 6.6302 0.0 0 CFG=1
M  V30 13 C 2.6673 4.3201 0.0 0
M  V30 14 N 5.1456 4.0597 0.0 0
M  V30 15 N 2.6673 7.4002 0.0 0
M  V30 16 C 2.9877 2.8138 0.0 0
M  V30 17 C 1.3337 5.0901 0.0 0
M  V30 18 C 4.5192 2.6527 0.0 0
M  V30 19 C 1.3337 6.6302 0.0 0 CFG=2
M  V30 20 C 2.0824 1.5678 0.0 0
M  V30 21 C 5.1456 1.2459 0.0 0
M  V30 22 C 2.7088 0.1609 0.0 0
M  V30 23 C 4.2403 0.0000 0.0 0
M  V30 24 C 5.3348 7.4002 0.0 0
M  V30 25 C 5.3348 8.9402 0.0 0
M  V30 26 C 6.6685 6.6302 0.0 0
M  V30 27 C 6.6685 9.7102 0.0 0
M  V30 28 C 8.0022 7.4002 0.0 0
M  V30 29 C 8.0022 8.9402 0.0 0
M  V30 30 C 10.6697 8.9402 0.0 0
M  V30 31 C 11.0682 7.4527 0.0 0
M  V30 32 C 12.1572 9.3388 0.0 0
M  V30 33 N 12.5557 7.8512 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 1 1 15
M  V30 3 1 2 3
M  V30 4 1 2 4
M  V30 5 1 2 5
M  V30 6 1 19 6 CFG=1
M  V30 7 1 7 29
M  V30 8 1 7 30
M  V30 9 1 8 9
M  V30 10 1 8 33
M  V30 11 1 9 10
M  V30 12 1 11 12
M  V30 13 2 11 13
M  V30 14 1 11 14
M  V30 15 1 12 15
M  V30 16 1 12 24 CFG=3
M  V30 17 1 13 16
M  V30 18 1 13 17
M  V30 19 1 14 18
M  V30 20 1 15 19
M  V30 21 1 16 18
M  V30 22 2 16 20
M  V30 23 1 17 19
M  V30 24 2 18 21
M  V30 25 1 20 22
M  V30 26 1 21 23
M  V30 27 2 22 23
M  V30 28 2 24 25
M  V30 29 1 24 26
M  V30 30 1 25 27
M  V30 31 2 26 28
M  V30 32 2 27 29
M  V30 33 1 28 29
M  V30 34 1 30 31
M  V30 35 1 30 32
M  V30 36 1 31 33
M  V30 37 1 32 33
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STEABS ATOMS=(2 12 19)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
> <cas.rn>
2092925-89-6

> <cas.index.name>
1H-Pyrido[3,4-b]indole, 2-(2-fluoro-2-methylpropyl)-2,3,4,9-tetrahydro-3-methyl-1-[4-[(1-propyl-3-azetidinyl)oxy]phenyl]-, (1R,3R)-

> <molecular.formula>
C28H36FN3O

> <molecular.weight>
449.60

> <boiling.point.predicted>
568.2±50.0 °C    Press: 760 Torr

> <density.predicted>
1.134±0.06 g/cm3    Temp: 20 °C; Press: 760 Torr

> <pka.predicted>
17.73±0.60    Most Acidic Temp: 25 °C

$$$$
