Chelist Moleculee
JRC CODE:JRC-000017
cas:1069-66-5
einecs:213-961-8
smiles:C(CCC)(CCC)C(=O)[O-].[Na+]
name:Pentanoic Acid, 2-Propyl-, Sodium Salt (1:1)
MW:166.1933
formula:C8H15NaO2
InChi:
InChiKey:
SMARTS:
Other names
Pentanoic acid, 2-propyl-, sodium salt (1:1)
Pentanoic acid, 2-propyl-, sodium salt (9CI)
Valeric acid, 2-propyl-, sodium salt (7CI,8CI)
Acediprol
Convulex
Depacon
Depakene
Depakene R
Depakene syrup 8
Depakin
Depakine chronosphere
Dipropylacetate sodium
Epilim
KW 6066N
Micropakine LP
Orfiril
Selenica R
Sodium 2-propylpentanoate
Sodium 2-propylvalerate
Sodium bispropylacetate
Sodium dipropylacetate
Sodium valproate
Sodium α,α-dipropylacetate
VPA
Valerin
Valproate sodium
Valproic acid sodium salt
Valpron
Vupral

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

ACuteTox (124): Reference chemicals used in the FP6 Integrated Project ACuteTox (EU Research Projects)
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)
Japanese TGx project (132): TG-GATEs (Genomics-Assisted Toxicity Evaluation System developed by the Toxicogenomics Project in Japan) (International Research Projects)
PREDICT-IV (29): Reference chemicals used in the PREDICT-IV FP 7IP to evaluate drug-induced toxicity using non animal-based approach integrating toxicodynamics and biokinetics (EU Research Projects)