DHA-paclitaxel
[(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4,12-diacetyloxy-15-[(2R,3S)-3-benzamido-2-[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyl]oxy-3-phenylpropanoyl]oxy-1,9-dihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate
Molecular Identity
DHA-paclitaxel
[(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4,12-diacetyloxy-15-[(2R,3S)-3-benzamido-2-[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyl]oxy-3-phenylpropanoyl]oxy-1,9-dihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate
PubChem CID: 6918473
2D Structure
Properties
C69H81NO15
Molecular Formula
1164.40
Molecular Weight
g/mol
1163.5606
Exact Mass
Da
9.5
XLogP
Above Lipinski threshold
227
TPSA
May have limited oral absorption
3
H-Bond Donors
15
H-Bond Acceptors
2560
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
DHA-paclitaxelTaxoprexin199796-52-6Paclitaxel docosahexaenoic acidDocosahexaenoyl-paclitaxelPaclitaxel-dhadocosahexaenoic acid-paclitaxelOJE5810C4FPaclitaxel 2'-(all-cis-4,7,10,13,16,19-docosahexaenoate)Paclitaxel docosahexaenoic acid esterDTXSID00873216[(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4,12-diacetyloxy-15-[(2R,3S)-3-benzamido-2-[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyl]oxy-3-phenylpropanoyl]oxy-1,9-dihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate((1S,2S,3R,4S,7R,9S,10S,12R,15S)-4,12-diacetyloxy-15-((2R,3S)-3-benzamido-2-((4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyl)oxy-3-phenylpropanoyl)oxy-1,9-dihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo(11.3.1.03,10.04,7)heptadec-13-en-2-yl) benzoateRefChem:585919DTXCID90820719
Data from PubChem (NCBI)
This platform is for informational purposes only and does not constitute medical advice. Always consult a qualified healthcare professional.
Drug Network
Trials and conditions connected to DHA-paclitaxel
Loading drug network...