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Substance Name: Tin etiopurpurin
RN: 113471-15-1
InChIKey: YMUDKBBQOQWADR-UHFFFAOYSA-M

Classification Codes

  • Dermatologic Agents
  • Photochemotherapeutic
  • Photosensitizing Agents
  • Radiation-Sensitizing Agents

Molecular Formula

  • C37-H42-N4-O2-Sn

Molecular Weight

  • 693.475
 
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Names and Synonyms

Name of Substance

  • Tin etiopurpurin

Synonyms

  • DRG-0268
  • Etiopurpurin, tin
  • SnET2
  • Tin ethiopurpurin
  • Tin etiopurpurin dichloride

Systematic Name

  • Tin, (ethyl 3,4,20,21-tetrahydro-4,9,14,19-tetraethyl-18,19-dihydro-3,8,13,18-tetramethyl-20-phorbinecarboxylato(2-)-N23,N24,N25,N26)-, (SP-4-2)-

Registry Numbers

CAS Registry Number

  • 113471-15-1

System Generated Number

  • 0113471151

Structure Descriptors

InChI

1S/C37H43N4O2.Sn/c1-10-23-19(6)29-17-33-25(12-3)21(8)34(40-33)26-15-27(36(42)43-14-5)37(13-4)22(9)30(41-35(26)37)18-32-24(11-2)20(7)28(39-32)16-31(23)38-29;/h15-18,22H,10-14H2,1-9H3,(H-,38,39,40,41,42);/q-1;+2/p-1

InChIKey

YMUDKBBQOQWADR-UHFFFAOYSA-M

Smiles

C12=C3c4c(c(CC)c=5[n]4[Sn@@+2]46[n-]7c(c(CC)c(c7C5)C)C=c5[n]4c(C=C([C@@H]([C@@]2(C(C(=O)OCC)=C3)CC)C)[N-]16)c(c5C)CC)C