N-Acetylcochinol-O-phosphate
[(8S)-8-acetamido-13,14,15-trimethoxy-5-tricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaenyl] dihydrogen phosphate
Molecular Identity
N-Acetylcochinol-O-phosphate
[(8S)-8-acetamido-13,14,15-trimethoxy-5-tricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaenyl] dihydrogen phosphate
PubChem CID: 9896434
2D Structure
Properties
C20H24NO8P
Molecular Formula
437.40
Molecular Weight
g/mol
437.1240
Exact Mass
Da
1.3
XLogP
Drug-like (Lipinski: < 5)
124
TPSA
Good oral absorption (< 140 A²)
3
H-Bond Donors
8
H-Bond Acceptors
642
Complexity
SMILES
Canonical SMILES
SMILES: CC(=O)NC1CCC2=CC(=C(C(=C2C3=C1C=C(C=C3)OP(=O)(O)O)OC)OC)OCIsomeric SMILES
SMILES: CC(=O)N[C@H]1CCC2=CC(=C(C(=C2C3=C1C=C(C=C3)OP(=O)(O)O)OC)OC)OCSynonyms(20)
219923-05-4ZD6126N-Acetylcochinol-O-phosphateAZD-6126ZD-6126ZD 6126ANG 453AZD 6126GBO3S6M9W7N-Acetylcolchicinol dihydrogenphosphateZM 445526UNII-GBO3S6M9W7ANG-453ZM-445526(5S)-5-acetamido-9,10,11-trimethoxy-6,7-dihydro-5H-dibenzo[a,c][7]annulen-3-yl dihydrogen phosphate
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to N-Acetylcochinol-O-phosphate
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