Talaporfin SodiumProduct ingredient for Talaporfin
- Name
- Talaporfin Sodium
- Drug Entry
- Talaporfin
Talaporfin has been investigated for the treatment of Port-Wine Stain and Benign Prostatic Hyperplasia.
- Accession Number
- DBSALT002082
- Structure
Structure for Talaporfin Sodium (DBSALT002082)
- Synonyms
- Not Available
- UNII
- L63605PZ70
- CAS Number
- 220201-34-3
- Weight
- Average: 799.699
Monoisotopic: 799.21820491 - Chemical Formula
- C38H37N5Na4O9
- InChI Key
- KPALSRNVSRWOPA-YJFNSWLASA-J
- 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
- IUPAC Name
- tetrasodium (2S)-2-{2-[(4S,5S)-20-carboxy-4-(2-carboxyethyl)-10-ethenyl-15-ethyl-5,9,14,19-tetramethyl-21,22,23,24-tetraazapentacyclo[16.2.1.1^{3,6}.1^{8,11}.1^{13,16}]tetracosa-1,3(24),6,8,10,12,14,16(22),17,19-decaen-2-yl]acetamido}butanedioate
- SMILES
- [Na+].[Na+].[Na+].[Na+].CCC1=C(C)\C2=C\C3=C(C=C)C(C)=C(N3)\C=C3/N=C([C@@H](CCC([O-])=O)[C@@H]3C)/C(/CC(=O)N[C@@H](CC([O-])=O)C([O-])=O)=C3\N\C(=C/C1=N2)C(C)=C3C([O-])=O
- External Links
- ChemSpider
- 16737133
- ChEMBL
- CHEMBL2107806
- Predicted Properties
Property Value Source Water Solubility 0.0163 mg/mL ALOGPS logP 4.2 ALOGPS logP 2.58 Chemaxon logS -4.7 ALOGPS pKa (Strongest Acidic) 2.79 Chemaxon pKa (Strongest Basic) 5.45 Chemaxon Physiological Charge -4 Chemaxon Hydrogen Acceptor Count 11 Chemaxon Hydrogen Donor Count 3 Chemaxon Polar Surface Area 246.98 Å2 Chemaxon Rotatable Bond Count 12 Chemaxon Refractivity 232.58 m3·mol-1 Chemaxon Polarizability 73.91 Å3 Chemaxon Number of Rings 5 Chemaxon Bioavailability 0 Chemaxon Rule of Five No Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule Yes Chemaxon