| SpectraBase Spectrum ID |
B1tGkSIkqZ6 |
| Name |
21H,23H-Porphine-2,18-dipropanoic acid, 7,12-bis(2-chloroethyl)-17-formyl-3,8,13-trimethyl-, dimethyl ester |
| CAS Registry Number |
79491-23-9 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C36H38Cl2N4O5 |
| InChI |
InChI=1S/C36H38Cl2N4O5/c1-19-22(6-8-35(44)46-4)32-17-33-25(7-9-36(45)47-5)26(18-43)34(42-33)16-29-21(3)24(11-13-38)31(40-29)15-28-20(2)23(10-12-37)30(39-28)14-27(19)41-32/h14-18,40-41H,6-13H2,1-5H3/b27-14-,28-15-,29-16-,30-14-,31-15-,32-17-,33-17-,34-16- |
| InChIKey |
RYIHKSGOVGZPAE-PBXDYTICSA-N |
| Molecular Weight |
677.629 g/mol |
| SMILES |
[nH]1c2c(c(c1cc1nc(cc3[nH]c(cc4nc(c2)c(c4CCC(=O)OC)C=O)c(c3C)CCC(=O)OC)c(c1C)CCCl)CCCl)C |
| SPLASH |
splash10-004i-0000009000-092ac60e9437267f2148 |
| Source of Spectrum |
J-54-3280-42 |
| Synonyms |
2,4-bis(.beta.-chloroethyl)-6,7-bis[.beta.-methoxycarbonylethyl]-8-formyl-1,3,5-trimethylporphyrin
2,4-bis(2-chloroethyl)-8-formyl-6,7-bis[2-(methoxycarbonyl)ethyl]-1,3,5-trimethylphyrin
methyl 3-[10,15-bis(2-chloroethyl)-5-formyl-20-(3-methoxy-3-oxopropyl)-9,14,19-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 |
| Wiley ID |
1414168 |
