Chemical Substance attributes
ChEMBL ID
CHEMBL428647
CAS Registry Number
33069-62-4
Canonical SMILES
CC1=C2C(C(=O)C3(C(CC4C(C3C(C(C2(C)C)(CC1OC(=O)C(C(C5=CC=CC=C5)NC(=O)C6=CC=CC=C6)O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)O)C)OC(=O)C
PDB Ligand ID
TA1
DSSTox ID
DTXSID9023413
UNII
P88XT4IS4D
WHO International Nonproprietary Name
Paclitaxel
Other attributes
Wikidata ID
Overview
Paclitaxel is a naturally occurring and semi-synthetic compound with the United Nations Unique Identifier (UNII) P88XT4IS4D. It has the CAS number 33069-62-4 and the chemical structure represented by the canonical SMILES notation: CC1=C2C(C(=O)C3(C(CC4C(C3C(C(C2(C)C)(CC1OC(=O)C(C(C5=CC=CC=C5)NC(=O)C6=CC=CC=C6)O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)O)C)OC(=O)C.
Paclitaxel also has a Chembl ID of CHEMBL428647, a DSSTOX substance identifier (DSSTox ID) of DTXSID9023413, and a Protein Data Bank ligand identifier (PDB Ligand ID) of TA1. The compound is also known by its World Health Organization's International Nonproprietary Name (WHO INN) as Paclitaxel.
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