CAS No.110230-98-3,monoaspartyl chlorin e6 Suppliers

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Basic Information

Molecular Structure:
CAS No.:	110230-98-3
Name:	monoaspartyl chlorin e6

Formula:	C₃₈H₄₁N₅O₉
Molecular Weight:	711.76
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;
Density:	1.359 g/cm³
Boiling Point:	1218.1 °C at 760 mmHg
Flash Point:	690.5 °C
PSA:	238.09000
LogP:	3.52610

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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