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trials · metas · refs
Plus 6,743 TCM formulas connecting herbs together
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⚗️ Ingredient

3-butylphthalide

Open on HERB 2.0 ↗
4
Clinical Trials
0
Meta-Analyses
0
PubMed References
Top Conditions Studied with 3-butylphthalide
Acute Ischemic Stroke 2 Restenosis 1 Vascular Dementia 1
📋 Sample Trials
NCT01405248
Butylphthalide for Preventing Restenosis After Intracranial and Extracranial Artery Stenting
Completed · Phase 3
NCT03539445
Efficacy and Safety of Butylphthalide for Acute Ischemic Stroke Patients Receiving Intravenous Thrombolysis or Endovascular Treatment
Completed · Phase 3
NCT03804229
Efficacy and Safety of Butylphthalide Soft Capsule for the Treatment of Vascular Dementia
Active_Not_Recruiting · Phase 3
📊 Sample Meta-Analyses
None linked yet.
📚 Sample References
None linked yet.
⚗️ All Ingredient data fields for 3-butylphthalide
⚗️ Identity
Name
3-butylphthalide
Aliases / Synonyms
Butylphthalide; 6066-49-5; 3-n-Butylphthalide; 3-butylisobenzofuran-1(3H)-one; Phthalide, 3-butyl-; 1(3H)-Isobenzofuranone, 3-butyl-; 3-N-BUTYLPHATHLIDE; 3-Butyl-1(3H)-isobenzofuranone; FEMA No. 3334
🧪 Chemistry
Molecular Weight
190.2420
LogP
3.0883
Drug-likeness
0.684
H-Bond Acceptors
2
Rotatable Bonds
3
🔬 Structures
Canonical SMILES
CCCCC1C2=CC=CC=C2C(=O)O1
Isomeric SMILES
CCCCC1C2=CC=CC=C2C(=O)O1
InChIKey
HJXMNVQARNZTEE-UHFFFAOYSA-N
InChI
InChI=1S/C12H14O2/c1-2-3-8-11-9-6-4-5-7-10(9)12(13)14-11/h4-7,11H,2-3,8H2,1H3
🔗 External References
HERB DB
HBIN008363 ↗
PubChem CID
61361 ↗
NPASS
NPC83628
HIT
C0610
SymMap
14538
TCMID
2803; 38275
TCM-ID
8165
🔍 Raw view — every non-empty column on this row (31 fields)
name
3-butylphthalide
common names
Butylphthalide; 6066-49-5; 3-n-Butylphthalide; 3-butylisobenzofuran-1(3H)-one; Phthalide, 3-butyl-; 1(3H)-Isobenzofuranone, 3-butyl-; 3-N-BUTYLPHATHLIDE; 3-Butyl-1(3H)-isobenzofuranone; FEMA No. 3334
herb ingredient id
HBIN008363
canonical smiles
CCCCC1C2=CC=CC=C2C(=O)O1
isomeric smiles
CCCCC1C2=CC=CC=C2C(=O)O1
inchi
InChI=1S/C12H14O2/c1-2-3-8-11-9-6-4-5-7-10(9)12(13)14-11/h4-7,11H,2-3,8H2,1H3
inchikey
HJXMNVQARNZTEE-UHFFFAOYSA-N
mol wt
190.2420
num h acceptors
2
num h donors
0
mol logp
3.0883
num rotatable bonds
3
drug likeness
0.684
symmap mol id
14538
tcmid ingredient id
2803; 38275
tcm id ingredient id
8165
pubchem cid
61361
npass id
NPC83628
hit id
C0610

📋 Clinical Trials

4 · subject of clinical study
NCT01405248 Butylphthalide for Preventing Restenosis After Intracranial and Extracranial Art
→ Restenosis
NCT03539445 Efficacy and Safety of Butylphthalide for Acute Ischemic Stroke Patients Receivi
→ Acute Ischemic Stroke
NCT03804229 Efficacy and Safety of Butylphthalide Soft Capsule for the Treatment of Vascular
→ Vascular Dementia
NCT03413202 Effectiveness of Butylphthalide on Dynamic Cerebral Autoregulation in Patients W
→ Acute Ischemic Stroke
How relationships are computed
  • Clinical Trials / Meta-Analyses / References: direct foreign-key link via subject_entity_id (Phase 2d wireup)
  • Formula ↔ Herbs: text bridge via formulas.herbs_in_pinyin matching herbs.pinyin_name
  • Herb ↔ Ingredient: ACTIVE — direct link via herb_ingredients
  • Ingredient ↔ Target: ACTIVE — direct link via ingredient_targets
  • Target ↔ Disease: ACTIVE — direct link via target_health_topics
  • Herb → Target → Disease (full chemical spine): ACTIVE — joins all three link tables