TALAPORFIN SODIUM

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Synonyms
Status
Molecule Category Salt-form
UNII L63605PZ70

Structure

InChI Key KPALSRNVSRWOPA-YJFNSWLASA-J
Smiles C=Cc1c(C)c2cc3nc(c(CC(=O)N[C@@H](CC(=O)[O-])C(=O)[O-])c4[nH]c(cc5nc(cc1[nH]2)C(C)=C5CC)c(C)c4C(=O)[O-])[C@@H](CCC(=O)[O-])[C@@H]3C.[Na+].[Na+].[Na+].[Na+]
InChI
InChI=1S/C38H41N5O9.4Na/c1-7-20-16(3)24-12-26-18(5)22(9-10-32(45)46)35(42-26)23(11-31(44)41-30(37(49)50)15-33(47)48)36-34(38(51)52)19(6)27(43-36)14-29-21(8-2)17(4)25(40-29)13-28(20)39-24;;;;/h7,12-14,18,22,30,39,43H,1,8-11,15H2,2-6H3,(H,41,44)(H,45,46)(H,47,48)(H,49,50)(H,51,52);;;;/q;4*+1/p-4/b24-12-,25-13-,26-12-,27-14-,28-13-,29-14-,35-23-,36-23-;;;;/t18-,22-,30-;;;;/m0..../s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C38H37N5Na4O9
Molecular Weight 799.7
AlogP 5.95
Hydrogen Bond Acceptor 7.0
Hydrogen Bond Donor 7.0
Number of Rotational Bond 12.0
Polar Surface Area 235.66
Molecular species ACID
Aromatic Rings 3.0
Heavy Atoms 52.0

Pharmacology

Mechanism of Action Action Reference
Photosensitizing agent None Other

Cross References

Resources Reference
ChEMBL CHEMBL2107806
FDA SRS L63605PZ70
SureChEMBL SCHEMBL288658
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