Compound - Results

Benzocaine

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Information Structure
Name Benzocaine
Synonyms
4-(Ethoxycarbonyl)aniline
4-14-00-01129 (Beilstein Handbook Reference)
4-Aminobenzoic Acid, Ethyl Ester
4-Carbethoxyaniline
Aethylium Paraminobenzoicum
AI3-02081
Amben Ethyl Ester
Americaine
Anaesthan-syngala
Anaesthesin
Anaesthesinum
Anaesthin
Anestezin
Anesthesin
Anesthesine
Anesthone
Baby Anbesol
Benzocaina
Benzocaine
Benzocainum
Benzoic Acid, 4-amino-, Ethyl Ester
BRN 0638434
Caswell No. 430A
Dermoplast
EINECS 202-303-5
EPA Pesticide Chemical Code 097001
Ethoform
Ethoforme
Ethyl 4-aminobenzoate
Ethyl Aminobenzoate
Ethyl Aminobenzoate (VAN)
Ethyl P-aminobenzoate
Ethyl P-aminophenylcarboxylate
Ethyl PABA
Ethylester Kyseliny P-aminobenzoove
Ethylis Aminobenzoas
Hurricaine
Identhesin
Keloform
Norcain
Norcaine
Norcainum
NSC 41531
Ora-jel
Orthesin
p-(Ethoxycarbonyl)aniline
p-Aminobenzoic Acid Ethyl Ester
p-Carbethoxyaniline
p-Ethoxycarboxylic Aniline
Parathesin
Parathesine
Solarcaine
Solu H
Topcaine
ATC C05AD03
D04AB04
N01BA05
R02AD01
CID 2337
CAS 000094097
Drugbank ID DB01086
TTD Drug ID DAP001234
SMILES CCOC(=O)C1=CC=C(N)C=C1
Formula C9H11NO2
Molweight 165.189
Atoms 12
LogP 2.0267
Rotatable Bonds 3
H-Bond Donors 0
H-Bond Acceptors 3
CYP interactions
NameRelationsReferences
2E1Inhibitor 8061946
3A4Inhibitor 8061946
Lidocain

Java required.


Information Structure
Name Lidocain
Synonyms
2,6-Acetoxylidide, 2-(diethylamino)-
2-(Diethylamino)-2,6-acetoxylidide
2-(Diethylamino)-N-(2,6-dimethylphenyl)acetamide
4-12-00-02538 (Beilstein Handbook Reference)
Acetamide, 2-(diethylamino)-N-(2,6-dimethylphenyl)-
alfa-Dietilamino-2,6-dimetilacetanilide
alpha-Diethylamino-2,6-dimethylacetanilide
Anestacon
BRN 2215784
Cappicaine
Cito Optadren
Diethylaminoaceto-2,6-xylidide
Duncaine
EINECS 205-302-8
Esracaine
Gravocain
HSDB 3350
Isicaina
Isicaine
L-Caine
Leostesin
Lida-Mantle
Lidocain
Lidocaina
Lidocaine
Lidocaine (VAN)
Lidocainum
Lignocaine
Lignocainum
Maricaine
NSC 40030
Rucaina
Solcain
Xilina
Xilocaina
Xllina
Xycaine
Xylestesin
Xylocain
Xylocaine
Xylocitin
Xyloneural (free Base)
Xylotox
ATC A01AE01
C05AD01
D04AB01
N01BB02
R02AD02
S01HA07
S02DA01
C01BB01
CID 3676
CAS 000137586
Drugbank ID DB00281
TTD Drug ID DAP000121
SMILES CCN(CC)CC(=O)NC1=C(C)C=CC=C1C
Formula C14H22N2O
Molweight 234.337
Atoms 17
LogP 2.6567
Rotatable Bonds 6
H-Bond Donors 0
H-Bond Acceptors 3
CYP interactions
NameRelationsReferences
1A2Substrate Inhibitor 10901707
umm
14749694
10510747
10215663
9806111
15447735
10215663
2A6Substrate 8866826
11996015
umm
2B6Substrate umm
8866826
2C8Substrate umm
8866826
11996015
2C9Substrate umm
8578767
8866826
2C18Substrate 8866826
11996015
2D6Substrate Inhibitor medicine.iupui.edu/flockhart
8565792
umm
8068867
8250975
8516899
9143866
3A4Substrate Inhibitor 10901707
10901707
umm
9831966
3A5Substrate medicine.iupui.edu/flockhart
3A7Substrate medicine.iupui.edu/flockhart
Phase2 interactions
NameReferences
MET 7716464
Transporter
AC-No.NameReferences
P52569SLC7A216717319
Q00325Phosphate carrier protein, mitochondrial 676767
Extrarenal fraction 0.9
Elimination half-life 2h
Cocaine

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Information Structure
Name Cocaine
Synonyms
(1R,2R,3S,5S)-2-Methoxycarbonyltropan-3-yl Benzoate
1-alpha-H,5-alpha-H-Tropane-2-beta-carboxylic Acid, 3-beta-hydroxy-, Methyl Ester, Benzoate
1-Cocaine
2-beta-Carbomethoxy-3-beta-benzoxytropane
2-beta-Tropanecarboxylic Acid, 3-beta-hydroxy-, Methyl Ester, Benzoate (ester)
2beta-Carbomethoxy-3beta-benzoxytropane
3-(Benzoyloxy)-8-methyl-8-azabicyclo-(3.2.1)octane-2-carboxylic Acid Methyl Ether
3-Tropanylbenzoate-2-carboxylic Acid Methyl Ester
3beta-Hydroxy-1alphaH,5alphaH-tropane-2beta-carboxylic Acid Methyl Ester Benzoate
8-Azabicyclo(3.2.1)octane-2-carboxylic Acid, 3-(benzoyloxy)-8-methyl-, Methyl Ester, (1R-(exo,exo))-
Benzoylmethylecgonine
Bernice
Bernies
Blow
Burese
C Carrie
Cecil
Cholly
Cocaina
Cocaine
Cocaine, L-
Coke
Corine
Dama Blanca
Ecgonine, Methyl Ester, Benzoate (ester)
EINECS 200-032-7
Eritroxilina
Erytroxylin
Flake
Girl
Gold Dust
Green Gold
Happy Dust
Happy Trails
Her
HSDB 6469
Jam
Kokain
Kokan
Kokayeen
L-Cocaine
Lady
Leaf
Methyl 3-beta-hydroxy-1-alpha-H,5-alpha-H-tropane-2-beta-carboxylate Benzoate (ester)
Methyl 3beta-hydroxy-1alphaH,5alphaH-tropane-2beta-carboxylate Benzoate (ester)
Methyl Benzoylecgonine
Neurocaine
Nose Candy
Pimps Drug
Rock
Snow
Star Dust
Star-spangled Powder
Toot
White Girl Or Lady
ATC N01BC01
R02AD03
S01HA01
S02DA02
CID 446220
CAS 000050362
SMILES COC(=O)[C@H]1[C@H](C[C@H]2CC[C@@H]1N2C)OC(=O)C3=CC=CC=C3
Formula C17H21NO4
Molweight 303.353
Atoms 26
LogP 1.8056
Rotatable Bonds 5
H-Bond Donors 0
H-Bond Acceptors 5
CYP interactions
NameRelationsReferences
1A1Inducer 11856816
1A2Inducer 8617431
2A6Inducer 7654131
2A13Inducer 7654131
2C8Inhibitor 16188404
2C9Inhibitor 16188404
2D6Substrate Inhibitor 1857341
17574934
2J2Inducer 11856816
3A4Substrate Inhibitor Inducer 8617431
medicine.iupui.edu/flockhart
umm
8265621
8488174
11996015
11131030
3A5Substrate Inducer medicine.iupui.edu/flockhart
8617431
3A7Substrate medicine.iupui.edu/flockhart
Phase2 interactions
NameReferences
GST 7931884
MET 9231750
NAT 9774220,
2287649
Transporter
AC-No.NameReferences
A2RUN4Solute carrier family 6 (Neurotransmitter transporter, dopamine), member 311150317
P23975Sodium-dependent noradrenaline transporter18824182
Q01959DA transporter12130707
Q05940Synaptic vesicular amine transporter 2508148
Dyclonine

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Information Structure
Name Dyclonine
Synonyms
5-20-02-00393 (Beilstein Handbook Reference)
BRN 0224037
Diclonina
Dyclocaine
Dyclocainum
Dyclonin
Dyclonine
Dycloninum
ATC N01BX02
R02AD04
CID 3180
CAS 000586607
Drugbank ID DB00645
TTD Drug ID DAP000509
SMILES CCCCOC1=CC=C(C=C1)C(=O)CCN2CCCCC2
Formula C18H27NO2
Molweight 289.412
Atoms 21
LogP 3.8621
Rotatable Bonds 8
H-Bond Donors 0
H-Bond Acceptors 3
Transporter
AC-No.NameReferences
A2RUN4Solute carrier family 6 (Neurotransmitter transporter, dopamine), member 311150317
P23975Sodium-dependent noradrenaline transporter18824182
Q01959DA transporter12130707
Q05940Synaptic vesicular amine transporter 2508148
Ambroxol

Java required.


Information Structure
Name Ambroxol
Synonyms
Ambroxol
Ambroxolum
Bisolvon Metabolite VIII
Bromhexine-metabolite VIII
EINECS 242-500-3
N-(2-Amino-3,4-dibromociclohexil)-trans-4-aminociclohexanol
N-(2-Amino-3,4-dibromocyclohexyl)-trans-4-aminocyclohexanol
N-(trans-4-Hidroxiciclohexil)-(2-amino-3,5-dibromobencil)amina
N-(trans-4-Hydroxycyclohexyl)-(2-amino-3,5-dibromobenzyl)-amine
N-(trans-p-Hydroxycyclohexyl)-(2-amino-3,5-dibromobenzyl)amine
NA-872
trans-4-((2-Amino-3,5-dibromobencil)amino)ciclohexanol
trans-4-((2-Amino-3,5-dibromobenzyl)amine)cyclohexanol
ATC R02AD05
R05CB06
CID 2132
CAS 018683915
SMILES NC1=C(CN[C@H]2CC[C@H](O)CC2)C=C(Br)C=C1Br
Formula C13H18Br2N2O
Molweight 378.103
Atoms 18
LogP 4.159
Rotatable Bonds 3
H-Bond Donors 0
H-Bond Acceptors 3
CYP interactions
NameRelationsReferences
3A4Substrate Inhibitor 10659952
10659952
10659952
11996015
Transporter
AC-No.NameReferences
A2RUN4Solute carrier family 6 (Neurotransmitter transporter, dopamine), member 311150317
P23975Sodium-dependent noradrenaline transporter18824182
Q01959DA transporter12130707
Q05940Synaptic vesicular amine transporter 2508148
Extrarenal fraction 0.9
Elimination half-life 9h