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Substance Name: Dithiobis(ethylmethylamidoethylmethylaminomethyl-2,5,9-trimethylpsoralen)
RN: 112250-61-0
InChIKey: IOTZAFHOGRWAKS-UHFFFAOYSA-N

Molecular Formula

  • C44-H54-N4-O8-S2

Molecular Weight

  • 831.063
 
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Names and Synonyms

Name of Substance

  • Dithiobis(ethylmethylamidoethylmethylaminomethyl-2,5,9-trimethylpsoralen)

Synonym

  • Dbp-psoralen

Systematic Name

  • Propanamide, 3,3'-dithiobis(N-methyl-N-(2-(methyl((2,5,9-trimethyl-7-oxo-7H-furo(3,2-g)(1)benzopyran-3-yl)methyl)amino)ethyl)-

Registry Numbers

CAS Registry Number

  • 112250-61-0

System Generated Number

  • 0112250610

Structure Descriptors

InChI

1S/C44H54N4O8S2/c1-25-19-39(51)55-41-27(3)43-33(21-31(25)41)35(29(5)53-43)23-45(7)13-15-47(9)37(49)11-17-57-58-18-12-38(50)48(10)16-14-46(8)24-36-30(6)54-44-28(4)42-32(22-34(36)44)26(2)20-40(52)56-42/h19-22H,11-18,23-24H2,1-10H3

InChIKey

IOTZAFHOGRWAKS-UHFFFAOYSA-N

Smiles

S(SCCC(=O)N(CC[N@@](Cc1c(oc2c(c3c(c(cc(o3)=O)C)cc12)C)C)C)C)CCC(=O)N(CC[N@@](Cc1c(oc2c(c3c(c(cc(o3)=O)C)cc12)C)C)C)C