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Substance Name: Copper chlorophyllin
RN: 26317-27-1
UNII: P7D7N8KA5A
InChIKey: ZDOYGJNADZJRFB-PVMVIUQGSA-L

Molecular Formula

  • C34-H31-Cu-N4-O6.3H

Molecular Weight

  • 658.2106
 
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Names and Synonyms

Results Name

  • Copper chlorophyllin

Name of Substance

  • Copper chlorophyllin A

Synonyms

  • Copper chlorine
  • Copper chlorine e6
  • Copper chlorophyllin
  • Copper chlorophyllin A
  • EINECS 247-608-4
  • UNII-P7D7N8KA5A

Systematic Names

  • Cuprate(3-), (18-carboxy-20-(carboxymethyl)-8-ethenyl-13-ethyl-2,3-dihydro-3,7,12,17-tetramethyl-21H,23H-porphine-2-propanoato(5-)-N(sup 21),N(sup 22),N(sup 23),N(sup 24))-, trihydrogen, (SP-4-2-(2S-trans))-
  • Trihydrogen (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

  • 26317-27-1

FDA UNII

  • P7D7N8KA5A

Other Registry Number

  • 65963-40-8

System Generated Number

  • 0026317271

Molecular Formulas

Molecular Formula

  • C34-H31-Cu-N4-O6.3H

Molecular Formula Fragments

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

Structure Descriptors

InChI

1S/C34H36N4O6.Cu/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/p-2/t17-,21-;/m0./s1

InChIKey

ZDOYGJNADZJRFB-PVMVIUQGSA-L

Smiles

CCC1=C(/c/2c/c3c(c(c([n-]3)/cc/4\nc(/c(c\5/c(c(/c(/[n-]5)c/c1n2)C)C(=O)O)/CC(=O)O)[C@H]([C@@H]4C)CCC(=O)O)C)C=C)C.[Cu+2]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 769mg/kg (769mg/kg)   Eisei Kagaku. Hygienic Chemistry. Vol. 12, Pg. 199, 1966.