KEGG   COMPOUND: C14626
Entry
C14626                      Compound                               
Name
2'-Carboxy-4-[bis(2-chloroethyl)amino]-2-methylazobenzene;
Azo-mustard;
CB 1414
Formula
C18H19Cl2N3O2
Exact mass
379.0854
Mol weight
380.2684
Structure
Other DBs
CAS: 4213-40-5
PubChem: 17395626
ChEBI: 34193
NIKKAJI: J54.522H
LinkDB
KCF data

ATOM        25
            1   C8x C    16.1391  -24.7952
            2   C8x C    16.1391  -26.2000
            3   C8x C    17.3556  -26.9023
            4   C8x C    18.5721  -26.2000
            5   C8y C    18.5721  -24.7952
            6   C8y C    17.3556  -24.0929
            7   N2b N    19.8074  -24.0819
            8   N2b N    21.0166  -24.7799
            9   C8y C    22.2029  -24.0948
            10  C8y C    23.4009  -24.7864
            11  C8x C    24.6174  -24.0841
            12  C8y C    24.6174  -22.6794
            13  C8x C    23.4195  -21.9877
            14  C8x C    22.2029  -22.6901
            15  C6a C    17.3556  -22.6884
            16  O6a O    16.1222  -21.9761
            17  O6a O    18.5552  -21.9957
            18  C1a C    23.4011  -26.1997
            19  N1c N    25.8450  -21.9704
            20  C1b C    27.0581  -22.6706
            21  C1b C    25.8447  -20.5812
            22  C1b C    24.6182  -19.8733
            23  C1b C    27.0580  -24.0796
            24  X   Cl   28.2944  -24.7937
            25  X   Cl   24.6180  -18.4802
BOND        26
            1     1   2 2
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 2
            6     1   6 1
            7     5   7 1
            8     7   8 2
            9     8   9 1
            10    9  10 2
            11   10  11 1
            12   11  12 2
            13   12  13 1
            14   13  14 2
            15    9  14 1
            16    6  15 1
            17   15  16 2
            18   15  17 1
            19   10  18 1
            20   12  19 1
            21   19  20 1
            22   19  21 1
            23   21  22 1
            24   20  23 1
            25   23  24 1
            26   22  25 1

» Japanese version

DBGET integrated database retrieval system