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129497-78-5

Basic Information
CAS No.: 129497-78-5
Name: Verteporfin
Molecular Structure:
Molecular Structure of 129497-78-5 (Verteporfin)
Formula: C41H42N4O8
Molecular Weight: 718.79
Synonyms: Verteporfin [USAN:INN];CL 318,952;23H,25H-Benzo[b]porphine-9,13-dipropanoic acid,18-ethenyl-4,4a-dihydro-3,4-bis- (methoxycarbonyl)-4a,8,14,19-tetramethyl-,monomethyl ester,(4R,4aS)-rel-;(+-)-trans-3,4-Dicarboxy-4,4a-dihydro-4a,8,14,19-tetramethyl-18-vinyl-23H,25H-benzo(b)porphine-9,13-dipropionic acid, 3,4,9-trimethyl ester mixture with (+-)-trans-3,4-dicarboxy-4,4a-dihydro-4a,8,14,19-tetramethyl-18-vinyl-23H,25H-benzo(b)porphine-9,13-dipropionic acid, 3,4,13-trimethyl ester;23H,25H-Benzo(b)porphine-9,13-dipropanoic acid, 18-ethenyl-4,4a-dihydro-3,4-bis(methoxycarbonyl)-4a,8,14,19-tetramethyl-, monomethyl ester, trans-;Visudyne;Visudyne (TN);Verteporfin (JAN/USAN);
EINECS:
Density:
Melting Point:
Boiling Point:
Flash Point:
Solubility:
Appearance: dark green to black solid
Hazard Symbols:
Risk Codes:
Safety:
Transport Information:
PSA: 337.48000
LogP: 10.24600
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Chemistry

Molecule structure of Verteporfin (CAS NO.129497-78-5):

Molecular Weight: 718.79418 [g/mol]
Molecular Formula: C41H42N4O8
XLogP3-AA: 4.9
H-Bond Donor: 3
H-Bond Acceptor: 10
Rotatable Bond Count: 12
Tautomer Count: 6
Exact Mass: 718.300264
MonoIsotopic Mass: 718.300264
Topological Polar Surface Area: 174
Heavy Atom Count: 53
Complexity: 1500
Canonical SMILES: CC1=C(C2=CC3=NC(=CC4=C(C(=C(N4)C=C5C6(C(C(=CC=C6C(=N5)C=C1N2)C(=O)OC)C(=O)OC)C)C)CCC(=O)OC)C(=C3C)CCC(=O)O)C=C
Isomeric SMILES: CC1=C(C2=CC3=NC(=CC4=C(C(=C(N4)C=C5[C@@]6([C@@H](C(=CC=C6C(=N5)C=C1N2)C(=O)OC)C(=O)OC)C)C)CCC(=O)OC)C(=C3C)CCC(=O)O)C=C
InChI: InChI=1S/C41H42N4O8/c1-9-23-20(2)29-17-34-27-13-10-26(39(49)52-7)38(40(50)53-8)41(27,5)35(45-34)19-30-22(4)25(12-15-37(48)51-6)33(44-30)18-32-24(11-14-36(46)47)21(3)28(43-32)16-31(23)42-29/h9-10,13,16-19,38,42,44H,1,11-12,14-15H2,2-8H3,(H,46,47)/t38-,41+/m0/s1
InChIKey: YTZALCGQUPRCGW-ZSFNYQMMSA-N
Classification Codeof Verteporfin (CAS NO.129497-78-5): Antineoplastic; Dermatologic Agents; Photosensitizing agents; Radiation-Sensitizing Agents

Uses

 Verteporfin (CAS NO.129497-78-5) is used as a photosensitizer for photodynamic therapy to eliminate the abnormal blood vessels in the eye associated with conditions such as the wet form of macular degeneration.

Specification

 Verteporfin (CAS NO.129497-78-5) is also named as Verteporfin [USAN:INN] ; (+-)-trans-3,4-Dicarboxy-4,4a-dihydro-4a,8,14,19-tetramethyl-18-vinyl-23H,25H-benzo(b)porphine-9,13-dipropionic acid, 3,4,9-trimethyl ester mixture with (+-)-trans-3,4-dicarboxy-4,4a-dihydro-4a,8,14,19-tetramethyl-18-vinyl-23H,25H-benzo(b)porphine-9,13-dipropionic acid, 3,4,13-trimethyl ester ; CL 318,952 ; UNII-0X9PA28K43 ; Verteporfin ; Visudyne ; 23H,25H-Benzo(b)porphine-9,13-dipropanoic acid, 18-ethenyl-4,4a-dihydro-3,4-bis(methoxycarbonyl)-4a,8,14,19-tetramethyl-, monomethyl ester, trans- . Verteporfin (CAS NO.129497-78-5) is a benzoporphyrin derivative, is a medication.