Biricodar
C34H41N3O7
159997-94-1 Copyright (C) 2024 ACS
  0  0  0     0  0            999 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS  44 47 0 0 1
M  V30 BEGIN ATOM
M  V30 1 C 8.0023 9.2402 0.0 0
M  V30 2 C 6.6685 10.0102 0.0 0
M  V30 3 O 8.0023 7.7002 0.0 0
M  V30 4 O 6.6685 11.5503 0.0 0
M  V30 5 C 10.6697 7.7002 0.0 0
M  V30 6 O 12.0033 6.9302 0.0 0
M  V30 7 O 9.3360 6.9302 0.0 0
M  V30 8 C 12.0033 5.3901 0.0 0
M  V30 9 C 13.3372 4.6201 0.0 0
M  V30 10 C 10.6697 4.6201 0.0 0
M  V30 11 C 14.6708 5.3901 0.0 0
M  V30 12 C 9.3360 5.3901 0.0 0
M  V30 13 C 16.0045 4.6201 0.0 0
M  V30 14 C 8.0023 4.6201 0.0 0
M  V30 15 O 1.3337 10.0102 0.0 0
M  V30 16 C 1.3337 11.5503 0.0 0
M  V30 17 O 4.0012 5.3901 0.0 0
M  V30 18 C 2.6675 4.6201 0.0 0
M  V30 19 O 1.3337 6.9302 0.0 0
M  V30 20 C 0.0000 7.7002 0.0 0
M  V30 21 N 9.3360 10.0102 0.0 0
M  V30 22 C 10.6697 9.2402 0.0 0 CFG=2
M  V30 23 C 9.3360 11.5503 0.0 0
M  V30 24 C 12.0033 10.0102 0.0 0
M  V30 25 C 10.6697 12.3203 0.0 0
M  V30 26 C 12.0033 11.5503 0.0 0
M  V30 27 C 5.3348 9.2402 0.0 0
M  V30 28 C 4.0012 10.0102 0.0 0
M  V30 29 C 5.3348 7.7002 0.0 0
M  V30 30 C 2.6675 9.2402 0.0 0
M  V30 31 C 4.0012 6.9302 0.0 0
M  V30 32 C 2.6675 7.7002 0.0 0
M  V30 33 C 17.3382 5.3901 0.0 0
M  V30 34 C 18.6720 4.6201 0.0 0
M  V30 35 C 17.3382 6.9302 0.0 0
M  V30 36 C 20.0057 5.3901 0.0 0
M  V30 37 N 18.6720 7.7002 0.0 0
M  V30 38 C 20.0057 6.9302 0.0 0
M  V30 39 C 8.0023 3.0801 0.0 0
M  V30 40 C 6.6685 2.3101 0.0 0
M  V30 41 C 9.3360 2.3101 0.0 0
M  V30 42 C 6.6685 0.7700 0.0 0
M  V30 43 N 9.3360 0.7700 0.0 0
M  V30 44 C 8.0023 0.0000 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 1 21
M  V30 4 2 2 4
M  V30 5 1 2 27
M  V30 6 1 5 6
M  V30 7 2 5 7
M  V30 8 1 22 5 CFG=1
M  V30 9 1 6 8
M  V30 10 1 8 9
M  V30 11 1 8 10
M  V30 12 1 9 11
M  V30 13 1 10 12
M  V30 14 1 11 13
M  V30 15 1 12 14
M  V30 16 1 13 33
M  V30 17 1 14 39
M  V30 18 1 15 16
M  V30 19 1 15 30
M  V30 20 1 17 18
M  V30 21 1 17 31
M  V30 22 1 19 20
M  V30 23 1 19 32
M  V30 24 1 21 22
M  V30 25 1 21 23
M  V30 26 1 22 24
M  V30 27 1 23 25
M  V30 28 1 24 26
M  V30 29 1 25 26
M  V30 30 2 27 28
M  V30 31 1 27 29
M  V30 32 1 28 30
M  V30 33 2 29 31
M  V30 34 2 30 32
M  V30 35 1 31 32
M  V30 36 1 33 34
M  V30 37 2 33 35
M  V30 38 2 34 36
M  V30 39 1 35 37
M  V30 40 1 36 38
M  V30 41 2 37 38
M  V30 42 1 39 40
M  V30 43 2 39 41
M  V30 44 2 40 42
M  V30 45 1 41 43
M  V30 46 1 42 44
M  V30 47 2 43 44
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STEABS ATOMS=(1 22)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
> <cas.rn>
159997-94-1

> <cas.index.name>
2-Piperidinecarboxylic acid, 1-[2-oxo-2-(3,4,5-trimethoxyphenyl)acetyl]-, 4-(3-pyridinyl)-1-[3-(3-pyridinyl)propyl]butyl ester, (2S)-

> <molecular.formula>
C34H41N3O7

> <molecular.weight>
603.71

> <boiling.point.predicted>
752.1±70.0 °C    Press: 760 Torr

> <density.predicted>
1.195±0.06 g/cm3    Temp: 20 °C; Press: 760 Torr

> <pka.predicted>
5.80±0.10    Most Basic Temp: 25 °C

$$$$
