Chelist Moleculee

cas:	318-98-9
einecs:	206-268-7
smiles:	c12c(OC[C@@H](CNC(C)C)O)cccc1cccc2.Cl
name:	(±)-Propranolol hydrochloride
MW:	295.804
formula:	C16H22ClNO2
InChi:
InChiKey:
SMARTS:

Other names
[2-hydroxy-3-(naphthyloxy)propyl]isopropylammonium chloride
(±)-Propranolol Hydrochloride
Propranolol hydrochloride

Search by similarity

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) = N_A&B/(N_A+N_B-N_A&B) where N_A and N_B are the number of bits set in the bit strings of molecules A and B, respectively, N_A&B is the number of bits that are set in both.

Inventory List where this chemical is present

NTP CYTOTOX (1353): Compound Cytotoxicity Profiling Using Quantitative High-Throughput Screening (International Research Projects)
TOX21 LIST1 (8198): Tox21 Chemical Inventory for High-Throughput Screening (International Research Projects)
TOXCAST PHASE II (534): US EPA ToxCast list - phase II (International Research Projects)
ACuteTox (124): Reference chemicals used in the FP6 Integrated Project ACuteTox (EU Research Projects)
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)
REACH PRS (143825): ECHA list of pre-registered substances (Regulatory)
JRC Acute Systemic Toxicity (180): The use of computational and in vitro methods for acute systemic toxicity prediction (JRC Projects)