Chelist Moleculee
JRC CODE:JRC-000229
cas:51-48-9
einecs:200-101-1
smiles:N[C@@H](CC1=CC(I)=C(OC2=CC(I)=C(O)C(I)=C2)C(I)=C1)C(O)=O
name:Levothyroxine
MW:776.87
formula:C15H11I4NO4
InChi:
InChiKey:
SMARTS:
Other names
T3/T4 (thyroxin)
L-Tyrosine, O-(4-hydroxy-3,5-diiodophenyl)-3,5-diiodo-
Thyroxine, L- (8CI)
(-)-Thyroxine
3,3',5,5'-Tetraiodo-L-thyronine
Henning
L-T4
L-Thyroxin
L-Thyroxine
Levothyroxine
Levotiron
NSC 36397
T4 (hormone)
THX
Tetraiodothyronine
Thyrax
Thyreoideum
Thyroxin
Thyroxinal
Thyroxine

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

ESNATS (56): Compound selection for in vitro modeling of developmental neurotoxicity (EU Research Projects)
REACH PRS (143835): ECHA list of pre-registered substances (Regulatory)
NICEATM ED (78): Reference chemicals used in NICEATM BG1Luc Estrogen Receptor Transactivation Assay validation study (Method Validation)
TOX21 LIST1 (8205): Tox21 Chemical Inventory for High-Throughput Screening (International Research Projects)