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Substance Name: NT1 Purpurin
RN: 107634-78-6
InChIKey: LPUIEFIJJZGWFL-QHHLBZOUSA-N

Note

  • Used in photodynamic treatment of induced tumors.

Molecular Formula

  • C41-H50-N4-O2

Molecular Weight

  • 630.872
 
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Names and Synonyms

Name of Substance

  • NT1 Purpurin

Synonyms

  • NT-1 Purpurin
  • Purpurin NT 1

Systematic Name

  • 20-Phorbinecarboxylic acid, 3,4,20,21-tetrahydro-3,4,8,9,13,14,19-heptaethyl-18-ethylidene-18,19-dihydro-, ethyl ester

Registry Numbers

CAS Registry Number

  • 107634-78-6

System Generated Number

  • 0107634786

Structure Descriptors

InChI

1S/C41H50N4O2/c1-10-23-24(11-2)34-21-36-27(14-5)28(15-6)38(44-36)29-19-31(40(46)47-18-9)41(17-8)30(16-7)37(45-39(29)41)22-35-26(13-4)25(12-3)33(43-35)20-32(23)42-34/h16,19-22,42,45H,10-15,17-18H2,1-9H3/b30-16+,33-20-,36-21-,37-22-

InChIKey

LPUIEFIJJZGWFL-QHHLBZOUSA-N

Smiles

c12C(CC)=C(CC)c(cc3[nH]c4c(c5C(=C(CC)c(n5)cc5c(c(CC)c(c1)[nH]5)CC)CC)C=C([C@@]4(\C3=C\C)CC)C(OCC)=O)n2