General
Preferred name
Butylphthalide
Synonyms
3-Butylphthalide ()
3-n-Butylphathlide ()
3-n-Butylphthalide ()
butylphthalide, CSPC ()
RAC-3-N-BUTYLPHTHALIDE ()
DL-3-n-Butylphthalide ()
P&D ID
PD036157
CAS
6066-49-5
Tags
available
drug
Approved by
CFDA
First approval
2002
Drug Status
approved
investigational
Max Phase
3.0
Drug indication
Stroke
Structure
Probe scores
P&D probe-likeness score
[[ v.score ]]%
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
Description
(extracted from source data)
DESCRIPTION Butylphthalide (3-n-Butylphthalide) is an active molecule against cerebral ischemia. It was originally isolated from celery species and has been shown to be effective in stroke animal models.
PRICE 29
DESCRIPTION Butylphthalide (3-Butylphthalide) is an anti-cerebral-ischemia drug; first isolated from the seeds of Apium graveolens Linn. (TargetMol Bioactive Compound Library)
Compound Sets
10
AdooQ Bioactive Compound Library
A12240
Cayman Chemical Bioactives
30284
ChEMBL Drugs
CHEMBL248594
DrugBank
DB12749
DrugCentral
5257
DrugCentral Approved Drugs
5257
MedChem Express Bioactive Compound Library
HY-B0647
ReFrame library
Selleckchem Bioactive Compound Library
3-n-butylphathlide
TargetMol Bioactive Compound Library
T4S0647
External IDs
26
Properties
(calculated by RDKit )
Molecular Weight
190.1
Hydrogen Bond Acceptors
2
Hydrogen Bond Donors
0
Rotatable Bonds
3
Ring Count
2
Aromatic Ring Count
1
cLogP
3.09
TPSA
26.3
Fraction CSP3
0.42
Chiral centers
1.0
Largest ring
6.0
QED
0.68
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Target
p38 MAPK
Pathway
MAPK/ERK Pathway
Source data