1 2D Structure

2D Structure

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

3-[18-(2-carboxylatoethyl)-8,13-diethyl-3,7,12,17-tetramethylporphyrin-21,24-diid-2-yl]propanoate;hydron;tin(4+);dichloride

2.1.2 InChI

InChI=1S/C34H38N4O4.2ClH.Sn/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25;;;/h13-16H,7-12H2,1-6H3,(H4,35,36,37,38,39,40,41,42);2*1H;/q;;;+4/p-4

2.1.3 InChI Key

LLDZJTIZVZFNCM-UHFFFAOYSA-J

2.1.4 Canonical SMILES

[H+].[H+].CCC1=C(C2=NC1=CC3=C(C(=C([N-]3)C=C4C(=C(C(=CC5=NC(=C2)C(=C5C)CC)[N-]4)C)CCC(=O)[O-])CCC(=O)[O-])C)C.[Cl-].[Cl-].[Sn+4]

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. Snmp

2. Stannsoporfin (usan/inn)

3. D05922

4. J-001579

5. 3-[18-(2-carboxylatoethyl)-8,13-diethyl-3,7,12,17-tetramethylporphyrin-21,24-diid-2-yl]propanoate;hydron;tin(4+);dichloride

2.3 Create Date

2008-02-08

3 Chemical and Physical Properties

Molecular Formula	C₃₄H₃₆Cl₂N₄O₄Sn
Molecular Weight	754.3 g/mol
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	10
Rotatable Bond Count	6
Exact Mass	754.113564 g/mol
Monoisotopic Mass	754.113564 g/mol
Topological Polar Surface Area	108 Å²
Heavy Atom Count	45
Formal Charge	0
Complexity	938
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	6

Tin Mesoporphyrin

Tin Mesoporphyrin

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