KEGG   DRUG: AmylocaineHelp
Entry
D07454                      Drug                                   

Name
Amylocaine (BAN)
Formula
C14H21NO2
Exact mass
235.1572
Mol weight
235.322
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Remark
Same as: C14169
Chemical structure group: DG01247
Efficacy
Anesthetic (local)
Structure map
map07015  Local analgesics
Other DBs
CAS: 644-26-8
PubChem: 51091785
ChEBI: 34981
ChEMBL: CHEMBL1740065
LigandBox: D07454
NIKKAJI: J13.802I
LinkDB All DBs
KCF data Show

ATOM        17
            1   C8x C    22.0500  -16.6600
            2   C8x C    22.0500  -18.0600
            3   C8x C    23.3100  -18.7600
            4   C8y C    24.5000  -18.0600
            5   C8x C    24.5000  -16.6600
            6   C8x C    23.3100  -15.9600
            7   C7a C    25.6900  -18.7600
            8   O7a O    26.9500  -18.0600
            9   C1d C    28.1400  -18.7600
            10  C1b C    29.3300  -18.0600
            11  N1c N    30.5900  -18.7600
            12  C1a C    31.7800  -18.0600
            13  O6a O    25.6900  -20.1600
            14  C1b C    26.9500  -19.4600
            15  C1a C    29.3300  -19.4600
            16  C1a C    30.5900  -20.1600
            17  C1a C    26.9500  -20.8600
BOND        17
            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     4   7 1
            8     7   8 1
            9     8   9 1
            10    9  10 1
            11   10  11 1
            12   11  12 1
            13    7  13 2
            14    9  14 1
            15    9  15 1
            16   11  16 1
            17   14  17 1

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KEGG   DRUG: Amylocaine hydrochlorideHelp
Entry
D07572                      Drug                                   

Name
Amylocaine hydrochloride;
Dolodent (TN)
Formula
C14H21NO2. HCl
Exact mass
271.1339
Mol weight
271.783
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Remark
Chemical structure group: DG01247
Efficacy
Anesthetic (local)
Structure map
map07015  Local analgesics
Other DBs
CAS: 532-59-2
PubChem: 51091891
ChEMBL: CHEMBL1718204
LigandBox: D07572
NIKKAJI: J138.958K
LinkDB All DBs
KCF data Show

ATOM        18
            1   X   Cl   33.7202  -19.1300
            2   C8x C    20.7900  -16.6600
            3   C8x C    20.7900  -18.0600
            4   C8x C    22.0500  -18.7600
            5   C8y C    23.2400  -18.0600
            6   C8x C    23.2400  -16.6600
            7   C8x C    22.0500  -15.9600
            8   C7a C    24.4300  -18.7600
            9   O7a O    25.6900  -18.0600
            10  C1d C    26.8800  -18.7600
            11  C1b C    28.0700  -18.0600
            12  N1c N    29.3300  -18.7600
            13  C1a C    30.5200  -18.0600
            14  O6a O    24.4300  -20.1600
            15  C1b C    25.6900  -19.4600
            16  C1a C    28.0700  -19.4600
            17  C1a C    29.3300  -20.1600
            18  C1a C    25.6900  -20.8600
BOND        17
            1     2   3 2
            2     3   4 1
            3     4   5 2
            4     5   6 1
            5     6   7 2
            6     2   7 1
            7     5   8 1
            8     8   9 1
            9     9  10 1
            10   10  11 1
            11   11  12 1
            12   12  13 1
            13    8  14 2
            14   10  15 1
            15   10  16 1
            16   12  17 1
            17   15  18 1

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