| Phytochemical Name : Cocaine |
| PCNDIDC0212 |
| Pubchem CID : 446220 |
| Molecular formula: C17H21NO4 |
| Canonical SMILES : CN1C2CCC1C(C(C2)OC(=O)C3=CC=CC=C3)C(=O)OC |
Synonymes : cocaine|Benzoylmethylecgonine|Neurocaine|Kokain|Cocain|L-Cocaine|Cocaina|beta-Cocain|(-)-Cocaine|cocainum|Methyl Benzoylecgonine|Coke|l-Cocain|Eritroxilina|Erytroxylin|Bernies|Kokayeen|Burese|Corine|Kokan|Dama blanca|Pimp's drug|1-Cocaine|White girl or lady|Star-spangled powder|Crack cocaine|Leaf|Snow|Nose candy|Cocaine free base|Cocaine, l-|Crack|Flake|Blow|Lady|Toot|Happy trails|Green gold|C Carrie|50-36-2|C' Carrie|Blow [Street Name]|Girl [Street Name]|Lady [Street Name]|Rock [Street Name]|Toot [Street Name]|Cecil [Street Name]|Flake [Street Name]|(r)-(-)-cocaine|Sleighride|Badrock|Bazooka|Bernice [Street Name]|Blizzard|Cabello|Charlie|Cocktail|Goofball|Moonrocks|Caviar|Freeze|Heaven|Trails|Blast|Candy|Snort|Coca|Cola|Flex|Hell|Toke|Yeyo|Bouncing Powder|CHEBI:27958|Chicken Scratch|Happy powder|HSDB 6469|Florida Snow|Sweet Stuff|Ecgonine, methyl ester, benzoate (ester)|Gold dust [Street Name]|Prime Time|2-beta-Carbomethoxy-3-beta-benzoxytropane|Happy dust [Street Name]|UNII-I5Y540LHVR|Foo Foo|Kibbles n' Bits|Snow (birds)|G-Rock|I5Y540LHVR|Bernice|(R)-Cocaine|Cholly|Cecil|Ecgonine methyl ester benzoate|Girl|Rock|2beta-Carbomethoxy-3beta-benzoxytropane|Happy dust|Gold dust|IDS-NC-004|Star dust|3-Tropanylbenzoate-2-carboxylic acid methyl ester|Cholly [Street Name]|Cocaine [USP:BAN]|(1R,2R,3S,5S)-2-Methoxycarbonyltropan-3-yl benzoate|2-beta-Tropanecarboxylic acid, 3-beta-hydroxy-, methyl ester, benzoate (ester)|EINECS 200-032-7|RX0041|Star dust [Street Name]|Green gold [Street Name]|RX-0041|Happy trails [Street Name]|Methyl 3beta-hydroxy-1alphaH,5alphaH-tropane-2beta-carboxylate benzoate (ester)|beta-Cocaine|Jam|DTXSID2038443|Cocaine [BAN]|2-Methyl-3beta-hydroxy-1alphaH,5alphaH-tropane-2beta-carboxylate benzoate (ester)|3beta-Hydroxy-1alphaH,5alphaH-tropane-2beta-carboxylic acid methyl ester benzoate|1-alpha-H,5-alpha-H-Tropane-2-beta-carboxylic acid, 3-beta-hydroxy-, methyl ester, benzoate|3-(Benzoyloxy)-8-methyl-8-azabicyclo-(3.2.1)octane-2-carboxylic acid methyl ether|methyl (1R,2R,3S,5S)-3-(benzoyloxy)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate|Methyl 3-beta-hydroxy-1-alpha-H,5-alpha-H-tropane-2-beta-carboxylate benzoate (ester)|Blow (Street Name)|Girl (Street Name)|Lady (Street Name)|Rock (Street Name)|Toot (Street Name)|Ecgonine methyl ester benzoate (ester)|Cecil (Street Name)|COC|Flake (Street Name)|(1R,2R,3S,5S)-2-(methoxycarbonyl)tropan-3-yl benzoate|Cholly (Street Name)|Bernice (Street Name)|COCAINE (MART.)|COCAINE [MART.]|Gold dust (Street Name)|Star dust (Street Name)|3beta-Hydroxy-2beta-tropanecarboxylic acid methyl ester benzoate (ester)|8-Azabicyclo(3.2.1)octane-2-carboxylic acid, 3-(benzoyloxy)-8-methyl-, methyl ester, (1R-(exo,exo))-|Green gold (Street Name)|Happy dust (Street Name)|Happy trails (Street Name)|methyl [1R-(exo,exo)]-3-(benzoyloxy)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate|Allococaine|Depsococaine|Isococain|d-Pseudococaine|cocain-|COCAINE (USP MONOGRAPH)|COCAINE [USP MONOGRAPH]|Cocaine (TN)|Cocaine (USP)|(-)-Cocaine base|methyl (1S,3S,4R,5R)-3-benzoyloxy-8-methyl-8-azabicyclo[3.2.1]octane-4-carboxylate|[1R-(exo,exo)]-3-(benzoyloxy)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylic acid, methyl ester|METHYL (1R,2R,3S,5S)-3-(BENZOYLOXY)-8-METHYL-8-AZABICYCLO(3.2.1) OCTANE-2-CARBOXYLATE|DEA No. 9041|Carrie|Allopseudococaine|Cocaine-M|methyl (1R,2R,3S,5S)-3-(benzoyloxy)-8-methyl-8-azabicyclo(3.2.1)octane-2-carboxylate|methyl (1R-(exo,exo))-3-(benzoyloxy)-8-methyl-8-azabicyclo(3.2.1)octane-2-carboxylate|Benzoylethylecgonine|(1R-(exo,exo))-3-(benzoyloxy)-8-methyl-8-azabicyclo(3.2.1)octane-2-carboxylic acid, methyl ester|Cocaine (-)|1i7z|COCAINE [VANDF]|COCAINUM [HPUS]|COCAINE [HSDB]|COCAINE [MI]|COCAINE [WHO-DD]|D04XPW|Epitope ID:158626|SCHEMBL21930|CHEMBL370805|GTPL2286|Methyl 3-(benzoyloxy)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate|BDBM22418|1q72|3-beta-hydroxy-1-alpha H,5-alpha H-tropane-2-beta-carboxylic acid methyl ester benzoate|methyl (3S,4R)-3-benzoyloxy-8-methyl-8-azabicyclo[3.2.1]octane-4-carboxylate|DTXCID501030562|(1R,2R,3S,5S)-3-(Benzoyloxy)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylic acid methyl ester|8-Azabicyclo[3.2.1]octane-2-carboxylic acid, 3-(benzoyloxy)-8-methyl-, methyl ester, [1R-(exo,exo)]-|Cocaine 0.1 mg/ml in Acetonitrile|Cocaine 1.0 mg/ml in Acetonitrile|methyl (1R,2R,3S,5S)-8-methyl-3-[(phenylcarbonyl)oxy]-8-azabicyclo[3.2.1]octane-2-carboxylate|AKOS015965554|DB00907|C01416|Q41576|(1R,5S,8R)-2beta-(Methoxycarbonyl)-3beta-(benzoyloxy)tropane|methyl 3-benzoyloxy-8-methyl-8-azabicyclo[3.2.1]octane-4-carboxylate|[1R-(exo,exo)]-3-(Benzoyloxy)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylic Acid|3.BETA.-HYDROXY-2.BETA.-TROPANECARBOXYLIC ACID METHYL ESTER BENZOATE (ESTER)|methyl (1S,4R,5R)-3-benzoyloxy-8-methyl-8-azabicyclo[3.2.1]octane-4-carboxylate|METHYL 3B-HYDROXY-1.ALPHA.H,5.ALPHA.H-TROPANE-2.BETA.-CARBOXYLATE BENZOATE (ESTER)|METHYL 3B-HYDROXY-1alphaH,5alphaH-TROPANE-2beta-CARBOXYLATE BENZOATE (ESTER)|(1beta,5beta,8-anti)-3beta-Benzoyloxy-8-methyl-8-azabicyclo[3.2.1]octane-2beta-carboxylic acid methyl ester|1-alpha-H,5-alpha-H-Tropane-2-beta-carboxylic acid, 3-beta-hydroxy-, methyl ester, benzoate (ester) (8CI)|8-Azabicyclo[3.2.1]octane-2-carboxylic acid, 3-(benzoyloxy)-8-methyl-, methyl ester, (1R,2R,3S,5S)- (9CI) |
| Structure | |
| 3D structure | 2D structure |
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| Log Po/w (iLOGP) : 3.210 |
| Log Po/w (XLOGP3) : 2.300 |
| Log Po/w (WLOGP) : 1.490 |
| Log Po/w (MLOGP) : 2.180 |
| Log Po/w (SILICOS-IT) : 1.610 |
| Consensus Log Po/w : 2.160 |

