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Talaporfin
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Name

Talaporfin

 EINECS N/A
CAS No. 110230-98-3 Density 1.359 g/cm3
PSA 238.09000 LogP 3.52610
Solubility N/A Melting Point N/A
Formula C38H41N5O9 Boiling Point 1218.1 °C at 760 mmHg
Molecular Weight 711.76 Flash Point 690.5 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 110230-98-3 (monoaspartyl chlorin e6) Hazard Symbols N/A
Synonyms

L-Asparticacid,N-[[(7S,8S)-3-carboxy-7-(2-carboxyethyl)-13-ethenyl-18-ethyl-7,8-dihydro-2,8,12,17-tetramethyl-21H,23H-porphin-5-yl]acetyl]-(9CI);ME 2906;Mono-L-aspartyl chlorin e6;N-Aspartyl chlorin e6;NPe 6;Talaporfin;

 

Talaporfin Specification

The cas register number of Talaporfin is 110230-98-3. It also can be called as N-[2-[(7S,8S)-3-Carboxy-7-(2-carboxyethyl)-13-ethenyl-18-ethyl-7,8-dihydro-2,8,12,17-tetramethyl-21H,23H-porphin-5-yl]acetyl]-L-aspartic acid and the IUPAC Name about this chemical is (2S)-2-[[2-[(2S,3S)-7-carboxy-3-(2-carboxyethyl)-17-ethenyl-12-ethyl-2,8,13,18-tetramethyl-2,3,23,24-tetrahydroporphyrin-5-yl]acetyl]amino]butanedioic acid.

Physical properties about Talaporfin are: (1)ACD/LogP: 5.62; (2)# of Rule of 5 Violations: 4; (3)#H bond acceptors: 14; (4)#H bond donors: 7; (5)#Freely Rotating Bonds: 12; (6)Polar Surface Area: 235.66Å2; (7)Index of Refraction: 1.635; (8)Molar Refractivity: 187.53 cm3; (9)Molar Volume: 523.6 cm3; (10)Polarizability: 74.34x10-24cm3; (11)Surface Tension: 66.3 dyne/cm; (12)Enthalpy of Vaporization: 189.63 kJ/mol; (13)Boiling Point: 1218.1 °C at 760 mmHg.

Talaporfin is a effective tumor localizer that brings about the selective degradation of tumor tissue following light exposure. This chemical was approved in Japan (in 2004) for PDT of lung cancer and marketed as Laserphyrin.

You can still convert the following datas into molecular structure:
(1)SMILES: OC(=O)C[C@H](NC(=O)Cc1c5nc(cc4nc(cc3nc(cc2nc1[C@@H](CCC(O)=O)[C@@H]2C)c(C)c3C=C)C(\C)=C4\CC)c(C)c5C(O)=O)C(O)=O
(2)InChI: InChI=1/C38H41N5O9/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)/b24-12-,25-13-,26-12-,27-14-,28-13-,29-14-,35-23-,36-23-/t18-,22-,30-/m0/s1
(3)InChIKey: VSEIDZLLWQQJGK-WSUYNKMOBV
(4)Std. InChI: InChI=1S/C38H41N5O9/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)/b24-12-,25-13-,26-12-,27-14-,28-13-,29-14-,35-23-,36-23-/t18-,22-,30-/m0/s1
(5)Std. InChIKey: VSEIDZLLWQQJGK-WSUYNKMOSA-N

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