HPPH
3-[(21S,22S)-11-ethyl-16-(1-hexoxyethyl)-4-hydroxy-12,17,21,26-tetramethyl-7,23,24,25-tetrazahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1,4,6,8(26),9,11,13(25),14,16,18(24),19-undecaen-22-yl]propanoic acid
Molecular Identity
HPPH
3-[(21S,22S)-11-ethyl-16-(1-hexoxyethyl)-4-hydroxy-12,17,21,26-tetramethyl-7,23,24,25-tetrazahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1,4,6,8(26),9,11,13(25),14,16,18(24),19-undecaen-22-yl]propanoic acid
PubChem CID: 148160
2D Structure
Properties
C39H48N4O4
Molecular Formula
636.80
Molecular Weight
g/mol
636.3676
Exact Mass
Da
4.2
XLogP
Drug-like (Lipinski: < 5)
116
TPSA
Good oral absorption (< 140 A²)
3
H-Bond Donors
8
H-Bond Acceptors
1770
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
HPPH2-(1-Hexyloxyethyl)-2-devinyl pyropheophorbide-aDOB7Y3RSX03-[(21S,22S)-11-ethyl-16-(1-hexoxyethyl)-4-hydroxy-12,17,21,26-tetramethyl-7,23,24,25-tetrazahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1,4,6,8(26),9,11,13(25),14,16,18(24),19-undecaen-22-yl]propanoic acid3-Phorbinepropanoic acid, 14-ethyl-9-[1-(hexyloxy)ethyl]-4,8,13,18-tetramethyl-20-oxo-, (3S,4S)-3-PHORBINEPROPANOIC ACID, 14-ETHYL-9-(1-(HEXYLOXY)ETHYL)-4,8,13,18-TETRAMETHYL-20-OXO-, (3S,4S)-UNII-DOB7Y3RSX0CHEMBL500853CHEMBL5170755SCHEMBL12722713SCHEMBL20834922SCHEMBL29371502SCHEMBL29734576DTXSID501028872HMS6018D06
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to HPPH
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