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Substance Name: Thymidine-8-methoxypsoralen tetramethylethylene diadduct
RN: 94591-68-1
InChIKey: ATXBJKXCSFZKBX-FNGWQMIZSA-N

Molecular Weight

  • 542.582
 
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Names and Synonyms

Name of Substance

  • Thymidine-8-methoxypsoralen tetramethylethylene diadduct

Synonym

  • TMPTE

Systematic Name

  • 2H-Cyclobuta(4'',5'')pyrano(3'',2'':5',6')benzofuro(3',2':3,4)cyclobuta(1,2-d)pyrimidine-3,8,10(1H,6aH,9H)-trione, 7-(2-deoxy-beta-D-erythro-pentofuranosyl)-2a,6b,7,10a,10b,11b-hexahydro-5-methoxy-1,1,2,2,10a-pentamethyl-, (2S-(2alpha,5alpha,6beta(S*)))-

Registry Numbers

CAS Registry Number

  • 94591-68-1

System Generated Number

  • 0094591681

Structure Descriptors

InChI

1S/C28H34N2O9/c1-26(2)15-10-7-11-16-20(38-18(11)21(36-6)19(10)39-23(33)17(15)27(26,3)4)22-28(16,5)24(34)29-25(35)30(22)14-8-12(32)13(9-31)37-14/h7,12-17,20,22,31-32H,8-9H2,1-6H3,(H,29,34,35)/t12-,13+,14?,15?,16?,17?,20?,22?,28?/m0/s1

InChIKey

ATXBJKXCSFZKBX-FNGWQMIZSA-N

Smiles

O1[C@@H]2[C@@H]3[N@@]([C@H]4O[C@@H]([C@H](C4)O)CO)C(NC(=O)[C@@]3([C@@H]2c2c1c(c1c(c2)[C@@H]2[C@@H](C(O1)=O)C(C2(C)C)(C)C)OC)C)=O