Chelist Moleculee
JRC CODE:JRC-000099
cas:99-66-1
einecs:202-777-3
smiles:C(CCC)(CCC)C(O)=O
name:Valproic Acid
MW:144.2114
formula:C8H16O2
InChi:
InChiKey:
SMARTS:
Other names
Pentanoic acid, 2-propyl-
Valeric acid, 2-propyl- (6CI,7CI,8CI)
2,2-Di-n-propylacetic acid
2-Propylpentanoic acid
2-Propylvaleric acid
4-Heptanecarboxylic acid
44089
Acetic acid, dipropyl-
DPA
Depakine
Depakine-chrono
Dipropylacetic acid
Ergenyl
Mylproin
NSC 93819
Stavzor
Valcote
Valproic acid
n-Dipropylacetic acid

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

NICEATM ECVAM 3T3NRU CITOTOXICITY (72): Reference chemicals used in the NICEATM/ECVAM validation study of the Neutral Red Uptake (NRU) basal cytotoxicity assay (Method Validation)
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)
JRC HEPATOTOX (111): Hepatotox list (JRC Projects)
FP6 ReProTect (133): Test chemicals used for the development of in vitro tests within the FP6 project .ReProTect (EU Research Projects)
REACH REG (14803): Reach Registrations (Regulatory)
SEURAT-1 GC (19): SEURAT-1 Gold Compounds (EU Research Projects)
ESNATS (56): Compound selection for in vitro modeling of developmental neurotoxicity (EU Research Projects)