| SpectraBase Spectrum ID |
L7bjdpZdjtw |
| Name |
21H,23H-Porphine-2,18-dipropanoic acid, 7,12-bis(2-chloroethyl)-17-(hydroxymethyl)-3,8,13-trimethyl-, dimethyl ester |
| CAS Registry Number |
121211-61-8 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C36H40Cl2N4O5 |
| InChI |
InChI=1S/C36H40Cl2N4O5/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/h14-17,40-41,43H,6-13,18H2,1-5H3/b27-14-,28-15-,29-16-,30-14-,31-15-,32-17-,33-17-,34-16- |
| InChIKey |
VAWMTPPBHIEVQU-PBXDYTICSA-N |
| Molecular Weight |
679.645 g/mol |
| SMILES |
[nH]1c2cc3nc(c(c3CO)CCC(=O)OC)cc3c(c(c(cc4nc(cc1c(c2C)CCCl)c(c4CCCl)C)[nH]3)C)CCC(=O)OC |
| SPLASH |
splash10-03fr-0000009000-8bd1115415cde010d37d |
| Source of Spectrum |
J-54-3281-64 |
| Synonyms |
2,4-bis(2-chloroethyl)-8-hydroxymethyl)-6,7-bis[2-(methoxycarbonyl)ethyl]-1,3,5-trimethylporphyrin
Methyl 3-[10,15-bis(2-chloroethyl)-5-(hydroxymethyl)-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 |
1414263 |
