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Substance Name: Chlorin e6 ethylenediamide
RN: 114849-41-1
InChIKey: HMUGXFVHYGNFHI-MIUGAMJUSA-N

Molecular Formula

  • C37-H44-N6-O5

Molecular Weight

  • 652.792
 
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Names and Synonyms

Name of Substance

  • Chlorin e6 ethylenediamide

Synonyms

  • (2S-trans)-18-(((2-Aminoethyl)amino)carbonyl)-8-ethenyl-13-ethyl-2,3-dihydro-20-(2-methoxy-2-oxoethyl)-3,7,12,17-tetramethyl-21H,23H-porphine-2-propanoic acid
  • 18-Aminoethylcarbamoyl-20-methoxycarbonylmethyl-8-ethenyl-13-ethyl-2,3-dihydro-3,7,12,17-tetramethyl-21H,23H-porphine-2-propanoic acid

Systematic Name

  • 21H,23H-Porphine-2-propanoic acid, 18-(((2-aminoethyl)amino)carbonyl)-8-ethenyl-13-ethyl-2,3-dihydro-20-(2-methoxy-2-oxoethyl)-3,7,12,17-tetramethyl-, (2S-trans)-

Registry Numbers

CAS Registry Number

  • 114849-41-1

System Generated Number

  • 0114849411

Structure Descriptors

InChI

1S/C37H44N6O5/c1-8-22-18(3)26-15-28-20(5)24(10-11-32(44)45)35(42-28)25(14-33(46)48-7)36-34(37(47)39-13-12-38)21(6)29(43-36)17-31-23(9-2)19(4)27(41-31)16-30(22)40-26/h8,15-17,20,24,40,43H,1,9-14,38H2,2-7H3,(H,39,47)(H,44,45)/b26-15-,27-16-,28-15-,29-17-,30-16-,31-17-,35-25-,36-25-/t20-,24-/m0/s1

InChIKey

HMUGXFVHYGNFHI-MIUGAMJUSA-N

Smiles

c12[C@@H](C)[C@H](CCC(O)=O)c(c(CC(OC)=O)c3[nH]c(cc4C(=C(c(n4)cc4c(c(C)c(c1)[nH]4)C=C)C)CC)c(C)c3C(NCCN)=O)n2