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Substance Name: meso-Chlorin e(6) monoethylene diamine
RN: 147740-90-7
InChIKey: MSNZVYMWSJEYDK-GESAQZPFSA-N

Molecular Formula

  • C36-H44-N6-O5

Molecular Weight

  • 640.781
 
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Names and Synonyms

Name of Substance

  • meso-Chlorin e(6) monoethylene diamine

Synonyms

  • Mce(6) disodium salt
  • meso-Chlorin e6 monoethylenediamine

Systematic Name

  • 21H,23H-Porphine-5-acetic acid, 3-(3-((2-aminoethyl)amino)-3-oxopropyl)-7-carboxy-12,17-diethyl-2,3-dihydro-2,8,13,18-tetramethyl-, (2S-trans)-

Registry Numbers

CAS Registry Number

  • 147740-90-7

System Generated Number

  • 0147740907

Structure Descriptors

InChI

1S/C36H44N6O5/c1-7-21-17(3)25-14-27-19(5)23(9-10-31(43)38-12-11-37)34(41-27)24(13-32(44)45)35-33(36(46)47)20(6)28(42-35)16-30-22(8-2)18(4)26(40-30)15-29(21)39-25/h14-16,19,23,39,42H,7-13,37H2,1-6H3,(H,38,43)(H,44,45)(H,46,47)/b25-14-,26-15-,27-14-,28-16-,29-15-,30-16-,34-24-,35-24-/t19-,23-/m0/s1

InChIKey

MSNZVYMWSJEYDK-GESAQZPFSA-N

Smiles

[nH]1c2cc3[C@H]([C@@H](c(n3)c(CC(O)=O)c3[nH]c(c(c3C(O)=O)C)cc3C(=C(C)c(cc1c(c2C)CC)n3)CC)CCC(NCCN)=O)C