Name: Chlorin e6 trimethyl ester
Rating: 5 (10 reviews)

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结构编辑

类似物检索

HIT ID:HIT214323783
Cas No:35038-32-5
常用名:Chlorin e6 trimethyl ester
别名:二氢卟吩 e6 三甲酯
IUPAC:methyl (19S,20S)-14-ethenyl-9-ethyl-2-(2-methoxy-2-oxoethyl)-20-(3-methoxy-3-oxopropyl)-5,10,15,19-tetramethyl-21,22,23,24-tetraazapentacyclo[16.2.1.1^{3,6}.1^{8,11}.1^{13,16}]tetracosa-1,3,5,7,9,11(23),12,14,16,18(21)-decaene-4-carboxylate
IUPAC:methyl (19S,20S)-14-ethenyl-9-ethyl-2-(2-methoxy-2-oxoethyl)-20-(3-methoxy-3-oxopropyl)-5,10,15,19-tetramethyl-21,22,23,24-tetraazapentacyclo[16.2.1.1^{3,6}.1^{8,11}.1^{13,16}]tetracosa-1,3,5,7,9,11(23),12,14,16,18(21)-decaene-4-carboxylate
InChI key:LXSAEOQFNKQCFM-RDPSFJRHSA-N

分子式:C37H42N4O6
分子量:638.765
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:CCc1c(C)c2cc3[nH]c(cc4nc([C@@H](CCC(=O)OC)[C@@H]4C)c(CC(=O)OC)c4[nH]c(cc1n2)c(C)c4C(=O)OC)c(C)c3C=C |w:23.24,32.32,6.5,10.10|
SMILES:CCc1c(C)c2cc3[nH]c(cc4nc([C@@H](CCC(=O)OC)[C@@H]4C)c(CC(=O)OC)c4[nH]c(cc1n2)c(C)c4C(=O)OC)c(C)c3C=C |w:23.24,32.32,6.5,10.10|

Chlorin e6 trimethyl ester, a derivative of methyl pheophorbide-a, is an effective photosensitizer for photodynamic therapy (PDT).

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