Chemical structure of CAS 133513-12-9

Visudyne

CAS No.133513-12-9
MDL No.N/A
MFC41H42N4O8
MW718.80
InChI KeyYTZALCGQUPRCGW-ZSFNYQMMSA-N

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Product Information

(2R,2(1)S)-8-Ethenyl-2(1),2(2)-bis(methoxycarbonyl)-17-(3-methoxy-3-oxopropyl)-2,7,12,18-tetramethyl-2,2(1)-dihydrobenzo[b]porphyrin-13-propanoic acid is the 2(1),2(2),17-trimethyl ester of (2R,2(1)S)-2(1),2(2)-dicarboxy-8-ethenyl-2,7,12,18-tetramethyl-2,2(1)-dihydrobenzo[b]porphyrin-13,17-dipropanoic acid. It is a beta-substituted porphyrin, a carboxylic acid, and a methyl ester. It is functionally related to (2R,2(1)S)-2(1),2(2)-dicarboxy-8-ethenyl-2,7,12,18-tetramethyl-2,2(1)-dihydrobenzo[b]porphyrin-13,17-dipropanoic acid and an enantiomer of (2S,2(1)R)-8-ethenyl-2(1),2(2)-bis(methoxycarbonyl)-17-(3-methoxy-3-oxopropyl)-2,7,12,18-tetramethyl-2,2(1)-dihydrobenzo[b]porphyrin-13-propanoic acid.

CAS No.133513-12-9
Product NameVisudyne
Heavy Atom Count53Rotatable Bond Count9
Atom Stereo Count2Bond Stereo Count0
HBA9HBD3
TPSA173.560 ŲCharge0
Exact Mass718.30026Complexity2373.14
pKa3.187XLogP6.719