Lemuteporfin
dimethyl 5-ethenyl-10,14-bis[3-(2-hydroxyethoxy)-3-oxopropyl]-4,9,15,19-tetramethyl-25,26,27,28-tetrazahexacyclo[16.6.1.13,6.18,11.113,16.019,24]octacosa-1(25),2,4,6,8(27),9,11,13,15,17,21,23-dodecaene-20,21-dicarboxylate
Molecular Identity
Lemuteporfin
dimethyl 5-ethenyl-10,14-bis[3-(2-hydroxyethoxy)-3-oxopropyl]-4,9,15,19-tetramethyl-25,26,27,28-tetrazahexacyclo[16.6.1.13,6.18,11.113,16.019,24]octacosa-1(25),2,4,6,8(27),9,11,13,15,17,21,23-dodecaene-20,21-dicarboxylate
PubChem CID: 9918734
2D Structure
Properties
C44H48N4O10
Molecular Formula
792.90
Molecular Weight
g/mol
792.3370
Exact Mass
Da
3.8
XLogP
Drug-like (Lipinski: < 5)
203
TPSA
May have limited oral absorption
4
H-Bond Donors
12
H-Bond Acceptors
1590
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(16)
Lemuteporfin215808-49-4Lemuteporfin [INN]QLT 0074EZ109VJ012UNII-EZ109VJ012EA 6Dimethyl (2RS,21SR)-8-ethenyl-13,17-bis(3-(2-hydroxyethoxycarbonyl)-3-oxopropyl)-2,7,12,18-tetramethyl-2,21-dihydrobenzo(b)porphyrin-21,22-dicarboxylatedimethyl 5-ethenyl-10,14-bis[3-(2-hydroxyethoxy)-3-oxopropyl]-4,9,15,19-tetramethyl-25,26,27,28-tetrazahexacyclo[16.6.1.13,6.18,11.113,16.019,24]octacosa-1(25),2,4,6,8(27),9,11,13,15,17,21,23-dodecaene-20,21-dicarboxylateqlt0074LEMUTEPORFIN [USAN]orb1696563AKOS040752470Q2727743723H,25H-Benzo[b]porphine-9,13-dipropanoic acid, 18-ethenyl-4,4a-dihydro-3,4-bis(methoxycarbonyl)-4a,8,14,19-tetramethyl-, 9,13-bis(2-hydroxyethyl) ester
Data from PubChem (NCBI)
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