KEGG   COMPOUND: C14172
Entry
C14172                      Compound                               

Name
Hexylcaine
Formula
C16H23NO2
Exact mass
261.1729
Mol weight
261.3593
Structure
Pathway
map07015  Local analgesics
Other DBs
CAS: 532-77-4
PubChem: 7846984
ChEBI: 34791
ChEMBL: CHEMBL1197
NIKKAJI: J38.383J
LinkDB
KCF data

ATOM        19
            1   C8y C    27.6950  -15.5830
            2   C8x C    27.6950  -14.1834
            3   C8x C    26.4828  -13.4835
            4   C8x C    25.2707  -14.1834
            5   C8x C    25.2707  -15.5830
            6   C8x C    26.4828  -16.2828
            7   C7a C    28.9071  -16.2828
            8   O7a O    30.1199  -15.5826
            9   O6a O    28.9071  -17.6825
            10  C1c C    31.3331  -16.2830
            11  C1b C    32.5460  -15.5827
            12  C1a C    31.3331  -17.6825
            13  N1b N    33.7591  -16.2830
            14  C1y C    34.9721  -15.5827
            15  C1x C    36.1852  -16.2830
            16  C1x C    37.3973  -15.5832
            17  C1x C    37.3973  -14.1836
            18  C1x C    36.1842  -13.4832
            19  C1x C    34.9721  -14.1831
BOND        20
            1     1   2 1
            2     2   3 2
            3     3   4 1
            4     4   5 2
            5     5   6 1
            6     1   6 2
            7     1   7 1
            8     7   8 1
            9     7   9 2
            10    8  10 1
            11   10  11 1
            12   10  12 1
            13   11  13 1
            14   13  14 1
            15   14  15 1
            16   15  16 1
            17   16  17 1
            18   17  18 1
            19   18  19 1
            20   14  19 1

» Japanese version

KEGG   DRUG: Hexylcaine hydrochloride
Entry
D02454                      Drug                                   

Name
Hexylcaine hydrochloride;
Cyclaine (TN)
Formula
C16H23NO2. HCl
Exact mass
297.1496
Mol weight
297.8203
Structure
Simcomp
Efficacy
Anesthetic (local)
Comment
short-acting
Structure map
map07015  Local analgesics
Other DBs
CAS: 532-76-3
PubChem: 7849511
ChEMBL: CHEMBL1200715
DrugBank: DB00473
LigandBox: D02454
NIKKAJI: J244.275B
LinkDB
KCF data

ATOM        20
            1   C8y C    26.3132  -15.6044
            2   C8x C    26.3132  -14.2050
            3   C8x C    25.1004  -13.5053
            4   C8x C    23.8874  -14.2050
            5   C8x C    23.8874  -15.6044
            6   C8x C    25.1004  -16.3042
            7   C7a C    27.5260  -16.3042
            8   O7a O    28.7389  -15.6044
            9   O6a O    27.5260  -17.7036
            10  C1c C    29.9518  -16.3042
            11  C1b C    31.1646  -15.6044
            12  C1a C    29.9518  -17.7036
            13  N1b N    32.3775  -16.3042
            14  C1y C    33.5903  -15.6044
            15  C1x C    34.8031  -16.3042
            16  C1x C    36.0161  -15.6044
            17  C1x C    36.0161  -14.2050
            18  C1x C    34.8031  -13.5053
            19  C1x C    33.5903  -14.2050
            20  X   Cl   38.7216  -15.4645
BOND        20
            1     1   2 1
            2     2   3 2
            3     3   4 1
            4     4   5 2
            5     5   6 1
            6     1   6 2
            7     1   7 1
            8     7   8 1
            9     7   9 2
            10    8  10 1
            11   10  11 1
            12   10  12 1
            13   11  13 1
            14   13  14 1
            15   14  15 1
            16   15  16 1
            17   16  17 1
            18   17  18 1
            19   18  19 1
            20   14  19 1

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