Verteporfin(CAS No. 129497-78-5)

Verteporfin C41H42N4O8 (cas 129497-78-5) Molecular Structure

129497-78-5 Structure

Identification and Related Records

【Name】
Verteporfin
【CAS Registry number】
129497-78-5
【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)
【Molecular Formula】
C41H42N4O8 (Products with the same molecular formula)
【Molecular Weight】
718.79418
【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
【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
【Isomers 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

Chemical and Physical Properties

【Appearance】
dark green to black solid
【Density】
g/cm3
【Boiling Point】
°Cat760mmHg
【Flash Point】
°C
【Water】
soluble in tetrahydrofuran, sparingly soluble in acetonitrile, methanol and methylene chloride and insoluble in water
【Solubilities】
soluble in tetrahydrofuran, sparingly soluble in acetonitrile, methanol and methylene chloride and insoluble in water
【Computed Properties】
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
Formal Charge:0
Complexity:1500
Isotope Atom Count:0
Defined Atom Stereocenter Count:2
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1

Safety and Handling

【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.

Biomedical Effects and Toxicity

【Pharmacological Action】
- Drugs that are pharmacologically inactive but when exposed to ultraviolet radiation or sunlight are converted to their active metabolite to produce a beneficial reaction affecting the diseased tissue. These compounds can be administered topically or systemically and have been used therapeutically to treat psoriasis and various types of neoplasms.

Supplier Location

Top Suppliers

Diamond member Hangzhou Dayangchem Co., Ltd.
Country:ChinaChina
Business Type:Manufacturer
Telephone:86-571-88938639
Diamond member AOPHARM
Country:ChinaChina
Business Type:Manufacturer
Telephone:86-311-66600578
Shanghai Forever Synthesis Co.,Ltd.
Country:ChinaChina
Business Type:Distributor/Wholesaler
Telephone:86-21-61124658
Finetech Industry limited.
Country:ChinaChina
Business Type:Manufacturer
Telephone:86-27-87465837
Shanghai Hope Chem Co., Ltd.
Country:ChinaChina
Business Type:Manufacturer
Telephone:86-21-61723543
Jinan Haohua Industry Co., Ltd.
Country:ChinaChina
Business Type:Manufacturer
Telephone:0086-531-58773055
Beijing Chemeebio Pharma-tech Co., Ltd.
Country:ChinaChina
Business Type:Manufacturer
Telephone:86-10-85366013
BioChemPartner
Country:ChinaChina
Business Type:Manufacturer
Telephone:86-400-6010681
Shulin Li
Country:ChinaChina
Business Type:Manufacturer
Telephone:86-17083-639935
Chengdu Forward Pharm & Chem CO., LTD
Country:ChinaChina
Business Type:Manufacturer
Telephone:86-28-61777692

Quick Search

Cas    Name