Chemical Substance attributes
ChEMBL ID
CHEMBL269732
CAS Registry Number
104987-11-3
Canonical SMILES
CC1CC(C2C(CC(C(O2)(C(=O)C(=O)N3CCCCC3C(=O)OC(C(C(CC(=O)C(C=C(C1)C)CC=C)O)C)C(=CC4CCC(C(C4)OC)O)C)O)C)OC)OC
PDB Ligand ID
FK5
DSSTox ID
DTXSID5046354
UNII
Y5L2157C4J
WHO International Nonproprietary Name
tacrolimus
Other attributes
Wikidata ID
Overview
Tacrolimus () is a chemical compound with the CAS number 104987-11-3(). Its canonical SMILES representation is CC1CC(C2C(CC(C(O2)(C(=O)C(=O)N3CCCCC3C(=O)OC(C(C(CC(=O)C(C=C(C1)C)CC=C)O)C)C(=CC4CCC(C(C4)OC)O)C)O)C)OC)OC(). The compound has a ChEMBL ID of CHEMBL269732, a DSSTox ID of DTXSID5046354, a PDB Ligand ID of FK5, and a UNII ID of Y5L2157C4J.
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