| SpectraBase Spectrum ID |
BTG7gNZefZP |
| Name |
21H,23H-Porphine-2,18-dipropanoic acid, 3-bromo-7,12-bis(2-chloroethyl)-8,13,17-trimethyl-, dimethyl ester |
| Alternate Name(s) |
8-Bromo-2,4-bis(2-chloroethyl)-6,7-bis[2-(methoxycarbonyl)ethyl]-1,3,5-trimethylporphyrin
methyl 3-[19-bromo-10,15-bis(2-chloroethyl)-20-(3-methoxy-3-oxopropyl)-5,9,14-trimethyl-21,22,23,24-tetraazapentacyclo[16.2.1.1(3,6).1(8,11).1(13,16)]tetracosa-1(20),2,4,6(24),7,9,11,13(22),14,16,18-undecaen-4-yl]propanoate |
| CAS Registry Number |
123411-36-9 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C35H37BrCl2N4O4 |
| InChI |
InChI=1S/C35H37BrCl2N4O4/c1-18-21(6-8-33(43)45-4)29-16-31-24(7-9-34(44)46-5)35(36)32(42-31)17-30-23(11-13-38)20(3)27(41-30)15-28-22(10-12-37)19(2)26(39-28)14-25(18)40-29/h14-17,39,42H,6-13H2,1-5H3/b25-14-,26-14-,27-15-,28-15-,29-16-,30-17-,31-16-,32-17- |
| InChIKey |
DJQMXCBSZMHZJE-VWDDWXOMSA-N |
| Molecular Weight |
728.515 g/mol |
| SMILES |
[nH]1c2c(c(c1cc1nc(cc3[nH]c(cc4nc(c2)c(c4CCC(=O)OC)C)c(c3Br)CCC(=O)OC)c(c1C)CCCl)CCCl)C |
| SPLASH |
splash10-004i-0000000900-c09f59efba8484965273 |
| Source of Spectrum |
J-54-5573-30 |
| Wiley ID |
1415802 |
