1 2D Structure

2D Structure

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

3-[13-[1-[1-[8,12-bis(2-carboxyethyl)-17-(1-hydroxyethyl)-3,7,13,18-tetramethyl-21,24-dihydroporphyrin-2-yl]ethoxy]ethyl]-18-(2-carboxyethyl)-8-(1-hydroxyethyl)-3,7,12,17-tetramethyl-22,23-dihydroporphyrin-2-yl]propanoic acid

2.1.2 InChI

InChI=1S/C68H74N8O11/c1-29-41(13-17-61(79)80)53-28-56-44(16-20-64(85)86)32(4)48(72-56)24-59-68(36(8)52(76-59)25-58-65(37(9)77)33(5)49(73-58)21-45(29)69-53)40(12)87-39(11)67-35(7)50-22-46-30(2)42(14-18-62(81)82)54(70-46)27-55-43(15-19-63(83)84)31(3)47(71-55)23-57-66(38(10)78)34(6)51(74-57)26-60(67)75-50/h21-28,37-40,73-78H,13-20H2,1-12H3,(H,79,80)(H,81,82)(H,83,84)(H,85,86)

2.1.3 InChI Key

UZFPOOOQHWICKY-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CC1=C(C2=CC3=NC(=CC4=NC(=CC5=C(C(=C(N5)C=C1N2)C(C)OC(C)C6=C(C7=CC8=C(C(=C(N8)C=C9C(=C(C(=N9)C=C1C(=C(C(=N1)C=C6N7)C)CCC(=O)O)CCC(=O)O)C)C)C(C)O)C)C)C(=C4CCC(=O)O)C)C(=C3C)CCC(=O)O)C(C)O

2.2 Other Identifiers

2.2.1 UNII

625J2HS54G

2.3 Create Date

2005-08-08

3 Chemical and Physical Properties

Molecular Formula	C₆₈H₇₄N₈O₁₁
Molecular Weight	1179.4 g/mol
XLogP3	5.2
Hydrogen Bond Donor Count	10
Hydrogen Bond Acceptor Count	15
Rotatable Bond Count	18
Exact Mass	1178.54770521 g/mol
Monoisotopic Mass	1178.54770521 g/mol
Topological Polar Surface Area	314 Å²
Heavy Atom Count	87
Formal Charge	0
Complexity	2360
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	4
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

4 Drug and Medication Information

4.1 Drug Information

1 of 2
Drug Name	Photofrin
PubMed Health	Porfimer (Injection)
Drug Classes	Antineoplastic Agent
Drug Label	PHOTOFRIN (porfimer sodium) for Injection is a photosensitizing agent used in the photodynamic therapy (PDT) of tumors and of high-grade dysplasia (HGD) in Barretts esophagus (BE). Following reconstitution of the freeze-dried product with 5% Dex...
Active Ingredient	Porfimer sodium
Dosage Form	Injectable
Route	injection; Injection
Strength	75mg/vial
Market Status	Prescription
Company	Axcan Scandipharm; Pinnacle Biolgs

2 of 2
Drug Name	Photofrin
PubMed Health	Porfimer (Injection)
Drug Classes	Antineoplastic Agent
Drug Label	PHOTOFRIN (porfimer sodium) for Injection is a photosensitizing agent used in the photodynamic therapy (PDT) of tumors and of high-grade dysplasia (HGD) in Barretts esophagus (BE). Following reconstitution of the freeze-dried product with 5% Dex...
Active Ingredient	Porfimer sodium
Dosage Form	Injectable
Route	injection; Injection
Strength	75mg/vial
Market Status	Prescription
Company	Axcan Scandipharm; Pinnacle Biolgs

Photofrin

Photofrin

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