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Substance Name: Chlorophyl Cu complex
RN: 11006-34-1
UNII: VAC44EX123
InChIKey: HWDGVJUIHRPKFR-UHFFFAOYSA-I

Note

  • Careful alkaline hydrolysis replaces methyl & phytyl ester groups of chlorophyll with Na or K; resulting salts are water-soluble chlorophyllins.

Molecular Formula

  • C34-H31-Cu-N4-O6.3Na

Molecular Weight

  • 726.173
 

Classification Codes

  • Antimutagenic Agents
  • Drug / Therapeutic Agent
  • Mutation Data
  • Protective Agents
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Names and Synonyms

Name of Substance

  • Chlorophyl Cu complex
  • Chlorophyllin, copper sodium complex
  • Chlorophyllin-copper complex
  • CI 75810
  • Copper sodium chlorophyllin
  • Natural green 3
  • Potassium sodium copper chlorophyllin

Synonyms

  • CCRIS 5196
  • Chlorine e6, copper deriv., trisodium salt
  • Chlorophyllin copper sodium salt
  • Chlorophyllin sodium copper salt
  • Chlorophyllin sodium-copper salt
  • Chlorophyllin, potassium, sodium, and copper metallo-complex
  • EINECS 234-242-5
  • Potassium sodium copper chlorophyllin
  • Sodium-copper chlorin e6
  • UNII-VAC44EX123

Systematic Names

  • Chlorophyllin sodium copper salt
  • Chlorophyllin, copper sodium complex (8CI)
  • Cuprate(3-), ((7S,8S)-3-carboxy-5-(carboxymethyl)-13-ethenyl-18-ethyl-7,8-dihydro-2,8,12,17-tetramethyl-21H,23H-porphine-7-propanoato(5-)-kappaN21,kappaN22,kappaN23,kappaN24)-, sodium (1:3), (SP-4-2)-
  • Cuprate(3-), ((7S,8S)-3-carboxy-5-(carboxymethyl)-13-ethenyl-18-ethyl-7,8-dihydro-2,8,12,17-tetramethyl-21H,23H-porphine-7-propanoato(5-)-kappaN21,kappaN22,kappaN23,kappaN24)-, trisodium, (SP-4-2)-
  • Cuprate(3-), (18-carboxy-20-(carboxymethyl)-8-ethenyl-13-ethyl-2,3-dihydro-3,7,12,17-tetramethyl-21H,23H-porphine-2-propanoato(5-)-kappaN21,kappaN22,kappaN23,kappaN24)-, trisodium, (SP-4-2-(2S-trans))-
  • Cuprate(3-), (18-carboxy-20-(carboxymethyl)-8-ethenyl-13-ethyl-2,3-dihydro-3,7,12,17-tetramethyl-21H,23H-porphine-2-propanoato(5-)-N21,N22,N23,N24)-, trisodium, (SP-4-2-(2S-trans))-
  • 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-)

Registry Numbers

CAS Registry Number

  • 11006-34-1

FDA UNII

  • VAC44EX123

Other Registry Number

  • 65963-40-8

Related Registry Number

  • 15611-43-5 (Parent)

System Generated Number

  • 0011006341

Molecular Formulas

Molecular Formula

  • C34-H31-Cu-N4-O6.3Na

Molecular Formula Fragments

  • C34-H31-Cu-N4-O6
  • COMPONENT
  • Na

Structure Descriptors

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

InChIKey

HWDGVJUIHRPKFR-UHFFFAOYSA-I

Smiles

c=12[n-]c(=C(C3=[N]4C(=Cc5[n-]c(c(c5C)C=C)C=c5c(c(c([n]5[Cu+2]4)C1)CC)C)[C@@H]([C@@H]3CCC(=O)[O-])C)CC(=O)[O-])c(c2C)C(=O)[O-].[Na+].[Na+].[Na+]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 190mg/kg (190mg/kg)   Journal of the American Pharmaceutical Association, Scientific Edition. Vol. 43, Pg. 722, 1954.
mouse LD50 oral 7gm/kg (7000mg/kg)   Journal of the American Pharmaceutical Association, Scientific Edition. Vol. 43, Pg. 722, 1954.