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Ingredient
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Gene Target
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Disease
30,467
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Evidence
23,241
trials · metas · refs
Plus 6,743 TCM formulas connecting herbs together
⚗️ Ingredient
Cocaine
29
Clinical Trials
26
Meta-Analyses
19
PubMed References
Top Conditions Studied with Cocaine
Cocaine Use Disorder 8
Cocaine Dependence 6
Cocaine-Related Disorders 3
The consumption of psychoactive substances has been consider 2
Hyperthermia|Cocaine Use|Exercise 1
Any Ear Nose or Throat Conditions|With Identified Need for a 1
Crack cocaine is a drug of abuse that stimulates the central 1
Epistaxis 1
The condition being studied is substance use disorders (SUD) 1
Active Cocaine Users 1
Cocaine’s intense stimulant effect and addictive properties 1
Cocaine-Related Disorders|Substance Withdrawal Syndrome|Subs 1
📋 Sample Trials
NCT00451230
Metabolic Effects of Cocaine
Completed
NCT01851473
Interactions Between Intravenous Cocaine and Acetazolamide or Quinine
Completed · Phase 1
NCT01906346
Impact of a Non-Drug Choice on Cocaine Reinforcement
Completed · Early_Phase 1
📊 Sample Meta-Analyses
CRD42023393427
Behavioral techniques in effective harm reduction interventions with cocaine users: a systematic review
Harm reduction interventions using behavior modification techniques
CRD42022378254
Acute Cocaine Use and Outcomes After Ischemic or Hemorrhage Stroke: A Systematic Review of Clinical Evidence
Ischemic and Hemorrhagic Stroke
CRD42016035486
Crack-cocaine use and health consequences: systematic review and meta-analysis
📚 Sample References
PMID 31557508
Chemokine CCR5 and cocaine interactions in the brain: Cocaine enhances mesolimbic CCR5 mRNA levels and produces place preference and locomotor activation that are reduced by a CCR5 antagonist
Brain Behav Immun · 2020
PMID 29859319
Cocaine-mediated activation of microglia and microglial MeCP2 and BDNF production
Neurobiol Dis · 2018
PMID 31266052
Sequential cocaine-alcohol self-administration produces adaptations in rat nucleus accumbens core glutamate homeostasis that are distinct from those produced by cocaine self-administration alone
Neuropsychopharmacology · 2020
⚗️ All Ingredient data fields for Cocaine
⚗️ Identity
Name
Cocaine
Aliases / Synonyms
Benzoylmethylecgonine; Neurocaine; Kokain; L-Cocaine; Cocain; Cocaina; beta-Cocain; (-)-Cocaine; cocainum
🧪 Chemistry
Molecular Weight
303.3580
LogP
1.8677
Drug-likeness
0.798
H-Bond Acceptors
5
Rotatable Bonds
3
🔬 Structures
Canonical SMILES
CN1C2CCC1C(C(C2)OC(=O)C3=CC=CC=C3)C(=O)OC
Isomeric SMILES
CN1[C@H]2CC[C@@H]1[C@H]([C@H](C2)OC(=O)C3=CC=CC=C3)C(=O)OC
InChIKey
ZPUCINDJVBIVPJ-LJISPDSOSA-N
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
🔗 External References
🔍 Raw view — every non-empty column on this row (31 fields)
name
Cocaine
common names
Benzoylmethylecgonine; Neurocaine; Kokain; L-Cocaine; Cocain; Cocaina; beta-Cocain; (-)-Cocaine; cocainum
herb ingredient id
HBIN021188
canonical smiles
CN1C2CCC1C(C(C2)OC(=O)C3=CC=CC=C3)C(=O)OC
isomeric smiles
CN1[C@H]2CC[C@@H]1[C@H]([C@H](C2)OC(=O)C3=CC=CC=C3)C(=O)OC
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
inchikey
ZPUCINDJVBIVPJ-LJISPDSOSA-N
mol wt
303.3580
num h acceptors
5
num h donors
0
mol logp
1.8677
num rotatable bonds
3
drug likeness
0.798
symmap mol id
14724
tcmid ingredient id
3860
tcm id ingredient id
5554
pubchem cid
446220
npass id
NPC281104
hit id
C1115
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