Chlorophyllin Sodium Copper Salt
CAS #: 11006-34-1
Product Code : ENa-A43-CU-CU
CAS #: 11006-34-1
Linear Formula: C34H31CuN4Na3O6
MDL Number: MFCD00012149
EC No.: 234-242-5
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Synonyms
Chlorophyllin, coppered trisodium salt; Copper(2+) trisodium 3-[20-(carboxylatomethyl)-18-(dioxidomethylene)-13-ethyl-3, 7, 12, 17-tetramethyl-8-vinyl-3, 18-dihydro-2H-porphin-22-id-2-yl]propanoate; 2H, 3H-porphine-2-propanoic acid, 20-(carboxymethyl)-18-(dihydroxymethylene)-8-ethenyl-13-ethyl-18, 22-dihydro-3, 7, 12, 17-tetramethyl-, copper(2+) sodium salt (1:1:3); Chlorophyllin, copper sodium complex; Natural green 3; Trisodium (2S-trans)-(18-carboxy-20-(carboxymethyl)-13-ethyl-2, 3-dihydro-3, 7, 12, 17-tetramethyl-8-vinyl-21H, 23H-porphine-2-propionato(5-)-N21, N22, N23, N24)cuprate(3-); Cuprate(3-), (18-carboxy-20-(carboxymethyl)-8-ethenyl-13-ethyl-2, 3-dihydro-3, 7, 12, 17-tetramethyl-21H, 23H-porphine-2-propanoato(5-)-κN21, κN22, κN23, κN24)-, trisodium, (SP-4-2-(2S-trans))-; Copper sodium chlorophyllin; Chlorophyl Cu complex
Compound Formula: C34H31CuN4Na3O6
Molecular Weight: 724.15
Appearance: Dark green to black powder
Melting Point: N/A
Boiling Point: N/A
Density: N/A
Solubility in H2O: N/A
Exact Mass: 723.123265
Monoisotopic Mass: 723.123265
Health & Safety Information
Signal Word: N/A
Hazard Statements: N/A
Hazard Codes: N/A
Risk Codes: N/A
Safety Statements: N/A
RTECS Number: GS2168866
Transport Information: NONH for all modes of transport
WGK Germany: 2
Chemical Identifiers
Linear Formula: C34H31CuN4Na3O6
Pubchem CID: 108006
MDL Number: MFCD00012149
EC No.: 234-242-5
IUPAC Name: copper; trisodium; 3-[20-(carboxylatomethyl)-18-(dioxidomethylidene)-8-ethenyl-13-ethyl-3,7,12,17-tetramethyl-2,3-dihydroporphyrin-22-id-2-yl]propanoate
SMILES: CCC1=C(C2=NC1=CC3=C(C(=C([O-])[O-])C(=N3)C(=C4C(C(C(=N4)C=C5C(=C(C(=C2)[N-]5)C=C)C)C)CCC(=O)[O-])CC(=O)[O-])C)C.[Na+].[Na+].[Na+].[Cu+2]
InchI Identifier: InChI=1S/C34H36N4O6.Cu.3Na/c1-7-19-15(3)23-12-25-17(5)21(9-10-29(39)40)32(37-25)22(11-30(41)42)33-31(34(43)44)18(6)26(38-33)14-28-20(8-2)16(4)24(36-28)13-27(19)35-23;;;;/h7,12-14,17,21H,1,8-11H2,2-6H3,(H5,35,36,37,38,39,40,41,42,43,44);;;;/q;+2;3*+1/p-5
InchI Key: HWDGVJUIHRPKFR-UHFFFAOYSA-I
