Pyronaridine
C29H32ClN5O2
74847-35-1 Copyright (C) 2024 ACS
 37 42  0  0  0  0  0  0  0  0999 V2000
    9.1059    7.2419    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.4407    8.7819    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7746    9.5519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7711   11.8620    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.4386    2.6218    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7711    7.2419    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7711    4.1618    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1059    8.7819    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4397    9.5519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7722    9.5519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4397   11.0919    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7734    8.7819    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.7722   11.0919    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4386    8.7819    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1059   11.8620    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.7734   11.8620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1071    9.5519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4386   11.8620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1049    9.5519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1071   11.0919    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1049   11.0919    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7722    6.4718    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7722    4.9318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4386    7.2419    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4386    4.1618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1049    6.4718    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1049    4.9318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7722    1.8517    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.1792    2.4782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9332    0.3202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2097    1.3337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4396    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4374    6.4718    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0306    7.0983    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2765    4.9403    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.9538    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7700    4.6201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  0  0  0  0
  1 22  1  0  0  0  0
  2  3  1  0  0  0  0
  2 17  1  0  0  0  0
  4 21  1  0  0  0  0
  5 25  1  0  0  0  0
  5 28  1  0  0  0  0
  6 26  1  0  0  0  0
  6 33  1  0  0  0  0
  7 27  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
  9 11  1  0  0  0  0
  9 12  1  0  0  0  0
 10 13  2  0  0  0  0
 10 14  1  0  0  0  0
 11 15  2  0  0  0  0
 11 16  1  0  0  0  0
 12 17  2  0  0  0  0
 13 15  1  0  0  0  0
 13 18  1  0  0  0  0
 14 19  2  0  0  0  0
 16 20  2  0  0  0  0
 17 20  1  0  0  0  0
 18 21  2  0  0  0  0
 19 21  1  0  0  0  0
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
 23 25  1  0  0  0  0
 24 26  2  0  0  0  0
 25 27  2  0  0  0  0
 26 27  1  0  0  0  0
 28 29  1  0  0  0  0
 28 30  1  0  0  0  0
 29 31  1  0  0  0  0
 30 32  1  0  0  0  0
 31 32  1  0  0  0  0
 33 34  1  0  0  0  0
 33 35  1  0  0  0  0
 34 36  1  0  0  0  0
 35 37  1  0  0  0  0
 36 37  1  0  0  0  0
M  END
> <cas.rn>
74847-35-1

> <cas.index.name>
Phenol, 4-[(7-chloro-2-methoxybenzo[b]-1,5-naphthyridin-10-yl)amino]-2,6-bis(1-pyrrolidinylmethyl)-

> <molecular.formula>
C29H32ClN5O2

> <molecular.weight>
518.05

> <boiling.point.predicted>
621.335±55.00 °C    Press: 760.00 Torr

> <density.predicted>
1.357±0.06 g/cm3    Temp: 25 °C; Press: 760 Torr

> <pka.predicted>
8.199±0.50    Most Acidic Temp: 25 °C

$$$$
