General Information of the Compound
| Compound ID |
CP0035807
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| Compound Name |
Cocaine
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| Synonyms |
(-)-Cocaine
(-)-Cocaine base
(1R,2R,3S,5S)-2-(methoxycarbonyl)tropan-3-yl benzoate
(1R,2R,3S,5S)-2-Methoxycarbonyltropan-3-yl benzoate
(R)-Cocaine
1-Cocaine
2-beta-Carbomethoxy-3-beta-benzoxytropane
2-beta-Tropanecarboxylic acid, 3-beta-hydroxy-, methyl ester, benzoate (ester)
2beta-Carbomethoxy-3beta-benzoxytropane
3-Tropanylbenzoate-2-carboxylic acid methyl ester
3beta-Hydroxy-2beta-tropanecarboxylic acid methyl ester benzoate (ester)
Allococaine
Allopseudococaine
Badrock
Bazooka
Benzoylethylecgonine
Benzoylmethylecgonine
Bernice
Bernice [Street Name]
Bernies
Beta-Cocain
Blast
Blizzard
Blow
Blow [Street Name]
Bouncing Powder
Burese
C" Carrie
COC
Cabello
Candy
Carrie
Caviar
Cecil
Cecil [Street Name]
Charlie
Chicken Scratch
Cholly
Coca
Cocain
Cocaina
Cocaine
Cocaine (TN)
Cocaine (USP)
Cocaine [BAN]
Cocaine free base
Cocaine solution
Cocaine-M
Cocainum
Cocktail
Coke
Cola
Corine
Crack
Crack cocaine
Dama blanca
Ecgonine methyl ester benzoate
Ecgonine methyl ester benzoate solution
Ecgonine, methyl ester, benzoate (ester)
Eritroxilina
Erytroxylin
Flake
Flake [Street Name]
Flex
Florida Snow
Foo Foo
Freeze
G-Rock
Girl
Girl [Street Name]
Gold dust
Gold dust [Street Name]
Goofball
Green gold
Happy dust
Happy dust [Street Name]
Happy powder
Happy trails
Heaven
Hell
Jam
Kibbles n' Bits
Kokain
Kokan
Kokayeen
L-Cocain
L-Cocaine
Lady
Lady [Street Name]
Leaf
Methyl (1S,4R,5R)-3-benzoyloxy-8-methyl-8-azabicyclo[3.2.1]octane-4-carboxylate
Methyl (3S,4R)-3-benzoyloxy-8-methyl-8-azabicyclo[3.2.1]octane-4-carboxylate
Methyl 3-(benzoyloxy)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate
Methyl 3-benzoyloxy-8-methyl-8-azabicyclo[3.2.1]octane-4-carboxylate
Methyl 3beta-hydroxy-1alphaH,5alphaH-tropane-2beta-carboxylate benzoate (ester)
Methyl Benzoylecgonine
Moonrocks
Neurocaine
Nose candy
Pimp's drug
Prime Time
Pseudoallococaine
Rock
Rock [Street Name]
Sleighride
Snort
Snow
Snow (birds)
Star-spangled powder
Sweet Stuff
Toke
Toot
Toot [Street Name]
Trails
White girl or lady
Yeyo
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| Structure |
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| Formula |
C17H21NO4
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| Molecular Weight |
303.358
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| Canonical SMILES |
COC(=O)[C@@H]1[C@H]2CC[C@@H](C[C@@H]1OC(=O)c1ccccc1)N2C
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| InChI |
InChI=1S/C17H21NO4/c1-18-12-8-9-13(18)15(17(20)21-2)14(10-12)22-16(19)11-6-4-3-5-7-11/h3-7,12-15H,8-10H2,1-2H3/t12-,13+,14-,15+/m0/s1
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| InChIKey |
ZPUCINDJVBIVPJ-LJISPDSOSA-N
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| CAS |
50-36-2
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound
Protein ID: PT02186, Liver carboxylesterase 1
Protein ID: PT00897, Potassium voltage-gated channel subfamily H member 2
Protein ID: PT00884, Sodium-dependent dopamine transporter
Cell-based Assay
Protein ID: PT03401, Sodium-dependent dopamine transporter
Protein ID: PT01487, Sodium-dependent dopamine transporter
Cell-based Assay
| Cell Line ID | Cell Line Name | Cell Line Organism | |
| CL000335 | D8 | Mus musculus (Mouse) | 1 |
| 1 |
IC50 = 226 nM
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TI
LI
LO
TS
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| CL000011 | CHO | Cricetulus griseus (Chinese hamster) | 1 |
| 1 |
IC50 = 300 nM
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TI
LI
LO
TS
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Biochemical Assays
Protein ID: PT01026, Sodium-dependent noradrenaline transporter
Cell-based Assay
Protein ID: PT00871, Sodium-dependent serotonin transporter
Cell-based Assay
Protein ID: PT00891, Sodium-dependent serotonin transporter
Clinical Information about the Compound