Analyte Name

Verteporfin

CAS Number

129497-78-5

Molecular Formula

C41H42N4O8

Molecular Weight

1437.5884

Accurate Mass

1436.6005

SMILES

COC(=O)CCc1c(C)c2cc3[nH]c(cc4nc(cc5[nH]c(cc1n2)c(CCC(=O)O)c5C)c(C=C)c4C)C6=CC=C([C@H](C(=O)OC)[C@]36C)C(=O)OC.COC(=O)CCc7c(C)c8cc9nc(cc%10[nH]c(cc%11nc(cc7[nH]8)c(CCC(=O)O)c%11C)[C@@]%12(C)[C@@H](C(=O)OC)C(=CC=C%10%12)C(=O)OC)c(C)c9C=C

InChI

InChI=1S/2C41H42N4O8/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)24(11-14-36(46)47)32(44-30)18-33-25(12-15-37(48)51-6)21(3)28(43-33)16-31(23)42-29;1-9-23-20(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/h2*9-10,13,16-19,38,43,45H,1,11-12,14-15H2,2-8H3,(H,46,47)/b31-16-,32-18-,34-17-,35-19-;31-16-,33-18-,34-17-,35-19-/t2*38-,41+/m11/s1

IUPAC

3-[rac-(23R,24S)-22,23-bis(methoxycarbonyl)-5-(3-methoxy-3-oxo-propyl)-4,10,15,24-tetramethyl-14-vinyl-25,26,27,28-tetrazahexacyclo[16.6.1.13,6.18,11.113,16.019,24]octacosa-1,3(28),4,6,8,10,12,14,16(26),17,19,21-dodecaen-9-yl]propanoic acid

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

API

Product Format

Neat

API Family

Verteporfin