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Substance Name: Bacteriochlorin a
RN: 103428-20-2
InChIKey: MILOJLOJFSWAGE-BAVHOTIXSA-N

Note

  • Photosensitizer agent in photodynamic therapy.

Molecular Formula

  • C34-H38-N4-O7

Molecular Weight

  • 614.695
 
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Names and Synonyms

Name of Substance

  • Bacteriochlorin a

Systematic Name

  • 21H,23H-Porphine-7-propanoic acid, 13-acetyl-3-carboxy-5-(carboxymethyl)-18-ethyl-7,8,17,18-tetrahydro-2,8,12,17-tetramethyl-, (7S-(7alpha,8beta,17beta,18alpha))-

Registry Numbers

CAS Registry Number

  • 103428-20-2

System Generated Number

  • 0103428202

Structure Descriptors

InChI

1S/C34H38N4O7/c1-7-19-14(2)22-13-27-30(18(6)39)16(4)24(36-27)11-23-15(3)20(8-9-28(40)41)32(37-23)21(10-29(42)43)33-31(34(44)45)17(5)25(38-33)12-26(19)35-22/h11-15,19-20,36,38H,7-10H2,1-6H3,(H,40,41)(H,42,43)(H,44,45)/b22-13-,23-11-,24-11-,25-12-,26-12-,27-13-,32-21-,33-21-/t14-,15+,19-,20+/m1/s1

InChIKey

MILOJLOJFSWAGE-BAVHOTIXSA-N

Smiles

c12[C@H](CC)[C@@H](C)c(cc3[nH]c(cc4[C@@H](C)[C@@H](c(n4)c(c4c(c(c([nH]4)c1)C)C(O)=O)CC(O)=O)CCC(O)=O)c(c3C(C)=O)C)n2