Chelist Moleculee
JRC CODE:JRC-000334
cas:25812-30-0
einecs:247-280-2
smiles:Cc1ccc(C)c(OCCCC(C)(C)C(=O)O)c1
name:Gemfibrozil
MW:250.3334
formula:C15H22O3
InChi:
InChiKey:
SMARTS:
Other names
Pentanoic acid, 5-(2,5-dimethylphenoxy)-2,2-dimethyl-
Valeric acid, 2,2-dimethyl-5-(2,5-xylyloxy)- (8CI)
2,2-Dimethyl-5-(2,5-xylyloxy)valeric acid
5-(2,5-Dimethylphenoxy)-2,2-dimethylpentanoic acid
5-[(2,5-Dimethylphenyl)oxy]-2,2-dimethylpentanoic acid
CI 719
Decrelip
Gemfibrozil
Genlip
Gevilon
Lipur
Lopid
Lopizid
Trialmin 900

Search by similarity
Tanimoto index:
The algorithm applies nearest neighbor searching that finds molecules similar to the query object. The calculation applies the Tanimoto (or Jaccard) coefficient that is calculated by the following formula in the case of binary fingerprint (bit string) input: T(A,B) = NA&B/(NA+NB-NA&B) where NA and NB are the number of bits set in the bit strings of molecules A and B, respectively, NA&B is the number of bits that are set in both.

Inventory List where this chemical is present

TOXCAST PHASE II (535): US EPA ToxCast list - phase II (International Research Projects)
TOX21 LIST1 (8205): Tox21 Chemical Inventory for High-Throughput Screening (International Research Projects)
REACH PRS (143835): ECHA list of pre-registered substances (Regulatory)
NTP CYTOTOX (1353): Compound Cytotoxicity Profiling Using Quantitative High-Throughput Screening (International Research Projects)
Japanese TGx project (132): TG-GATEs (Genomics-Assisted Toxicity Evaluation System developed by the Toxicogenomics Project in Japan) (International Research Projects)