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Chemistry

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Also known as:
Molecular Formula
C34H38N4NaO5+
Molecular Weight
605.7  g/mol
InChI Key
GPVSXPYOJDJYKH-UHFFFAOYSA-N

Photofrin Porfimer Sodium
1 2D Structure

Photofrin Porfimer Sodium

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
sodium;3-[18-(2-carboxyethyl)-8-ethyl-13-(1-hydroxyethyl)-3,7,12,17-tetramethyl-22,23-dihydroporphyrin-2-yl]propanoic acid
2.1.2 InChI
InChI=1S/C34H38N4O5.Na/c1-7-21-16(2)24-12-25-17(3)22(8-10-32(40)41)29(36-25)15-30-23(9-11-33(42)43)18(4)26(37-30)14-31-34(20(6)39)19(5)27(38-31)13-28(21)35-24;/h12-15,20,35,38-39H,7-11H2,1-6H3,(H,40,41)(H,42,43);/q;+1
2.1.3 InChI Key
GPVSXPYOJDJYKH-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CCC1=C2C=C3C(=C(C(=CC4=NC(=CC5=NC(=CC(=C1C)N2)C(=C5CCC(=O)O)C)C(=C4C)CCC(=O)O)N3)C(C)O)C.[Na+]
2.2 Create Date
2005-08-09
3 Chemical and Physical Properties
Molecular Weight 605.7 g/mol
Molecular Formula C34H38N4NaO5+
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count7
Rotatable Bond Count8
Exact Mass605.27398961 g/mol
Monoisotopic Mass605.27398961 g/mol
Topological Polar Surface Area152 Ų
Heavy Atom Count44
Formal Charge1
Complexity982
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count2

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