| SpectraBase Spectrum ID |
2x6BYvBq2Te |
| Name |
2-[2-[7-(3-carbomethoxy-4-keto-4-methoxy-butyl)-10-methyl-phenothiazin-2-yl]ethyl]malonic acid dimethyl ester |
| Copyright |
Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C27H31NO8S |
| InChI |
InChI=1S/C27H31NO8S/c1-28-20-12-8-17(7-11-19(26(31)35-4)27(32)36-5)15-23(20)37-22-13-9-16(14-21(22)28)6-10-18(24(29)33-2)25(30)34-3/h8-9,12-15,18-19H,6-7,10-11H2,1-5H3 |
| InChIKey |
OBUKORXCABDUGI-UHFFFAOYSA-N |
| Molecular Weight |
529.604 g/mol |
| SMILES |
c12N(c3c(Sc2ccc(c1)CCC(C(=O)OC)C(=O)OC)cc(cc3)CCC(C(=O)OC)C(=O)OC)C |
| SPLASH |
splash10-005a-0026090000-2ce13fd237b059379135 |
| Source of Spectrum |
K1-2001-3277-42 |
| Synonyms |
2-[2-[7-(4-methoxy-3-methoxycarbonyl-4-oxobutyl)-10-methyl-2-phenothiazinyl]ethyl]propanedioic acid dimethyl ester
Dimethyl 2-[2-[7-(4-methoxy-3-methoxycarbonyl-4-oxidanylidene-butyl)-10-methyl-phenothiazin-2-yl]ethyl]propanedioate
Dimethyl 2-[2-[7-(4-methoxy-3-methoxycarbonyl-4-oxo-butyl)-10-methyl-phenothiazin-2-yl]ethyl]propanedioate |
| Wiley ID |
814172 |
![2-[2-[7-(3-carbomethoxy-4-keto-4-methoxy-butyl)-10-methyl-phenothiazin-2-yl]ethyl]malonic acid dimethyl ester](/api/spectrum/2x6BYvBq2Te/structure.png?h=300&w=458 "2-[2-[7-(3-carbomethoxy-4-keto-4-methoxy-butyl)-10-methyl-phenothiazin-2-yl]ethyl]malonic acid dimethyl ester")
