Compound - Results

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 medicine.iupui.edu/flockhart
umm
8265621
8488174
11996015
11131030
8617431
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
A2RUN4Dopamine transporter 20575852
P23975Norepinephrine transporter18824182
Q01959SLC6A3 12130707
Q05940Solute carrier family 18 member 22508148