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Substance Name: Sodium copper chlorophyllin
RN: 28302-36-5
UNII: W291NWW1C0
InChIKey: KYLOFEQLMQEHBO-JOKPRTCASA-I

Molecular Formula

  • C34-H29-Cu-N4-O7.3Na

Molecular Weight

  • 738.1401
 
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Names and Synonyms

Results Name

  • Sodium copper chlorophyllin

Name of Substance

  • Sodium copper chlorophyllin B

Synonyms

  • EINECS 248-950-7
  • Sodium copper chlorophyllin
  • UNII-W291NWW1C0

Systematic Names

  • Cuprate(3-), ((7S,8S)-3-carboxy-5-(carboxymethyl)-13-ethenyl-18-ethyl-17-formyl-7,8-dihydro-2,8,12-trimethyl-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-17-formyl-7,8-dihydro-2,8,12-trimethyl-21H,23H-porphine-7-propanoato(5-)-kappaN21,kappaN22,kappaN23,kappaN24)-, trisodium, (SP-4-2)-
  • Trisodium (2S-trans)-(18-carboxy-20-(carboxymethyl)-13-ethyl-12-formyl-2,3-dihydro-3,7,17-trimethyl-8-vinyl-21H,23H-porphine-2-propionato(5-)-N21,N22,N23,N24)cuprate(3-)

Registry Numbers

CAS Registry Number

  • 28302-36-5

FDA UNII

  • W291NWW1C0

System Generated Number

  • 0028302365

Molecular Formulas

Molecular Formula

  • C34-H29-Cu-N4-O7.3Na

Molecular Formula Fragments

  • C34-H29-Cu-N4-O7
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C34H34N4O7.Cu.3Na/c1-6-18-15(3)23-11-24-16(4)20(8-9-29(40)41)32(37-24)21(10-30(42)43)33-31(34(44)45)17(5)25(38-33)12-27-19(7-2)22(14-39)28(36-27)13-26(18)35-23;;;;/h6,11-14,16,20H,1,7-10H2,2-5H3,(H5,35,36,37,38,39,40,41,42,43,44,45);;;;/q;+2;3*+1/p-5/t16-,20-;;;;/m0..../s1

InChIKey

KYLOFEQLMQEHBO-JOKPRTCASA-I

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=O.[Na+].[Na+].[Na+].[Cu+2]