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Substance Name: Epipodophyllotoxin thiuronium bromide
RN: 51911-08-1
InChIKey: CDRUNUAQTANNEM-XHNCEJFUSA-N

Molecular Formula

  • C-H4-N2-S.x-C22-H22-O8.x-Br-H

Molecular Weight

  • 571.4423
 
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Names and Synonyms

Results Name

  • Epipodophyllotoxin thiuronium bromide

Synonym

  • Epipodophyllotoxin thiuronium bromide

Systematic Name

  • Thiourea, monohydrobromide, compd. with (5R-(5alpha,5abeta,8aalpha,9beta))-5,8,8a,9-tetrahydro-9-hydroxy-5-(3,4,5-trimethoxyphenyl)furo(3',4',6,7)naphtho(2,3-d)-1,3-dioxol-6(5aH)-one

Registry Numbers

CAS Registry Number

  • 51911-08-1

System Generated Number

  • 0051911081

Molecular Formulas

Molecular Formula

  • C-H4-N2-S.x-C22-H22-O8.x-Br-H

Molecular Formula Fragments

  • Br-H
  • C-H4-N2-S
  • C22-H22-O8
  • COMPONENT

Structure Descriptors

InChI

1S/C22H22O8.CH4N2S.BrH/c1-25-16-4-10(5-17(26-2)21(16)27-3)18-11-6-14-15(30-9-29-14)7-12(11)20(23)13-8-28-22(24)19(13)18;2-1(3)4;/h4-7,13,18-20,23H,8-9H2,1-3H3;(H4,2,3,4);1H/t13-,18+,19-,20+;;/m0../s1

InChIKey

CDRUNUAQTANNEM-XHNCEJFUSA-N

Smiles

COc1cc(cc(c1OC)OC)[C@@H]2c3cc4c(cc3[C@H]([C@@H]5[C@@H]2C(=O)OC5)O)OCO4.C(=S)(N)N.Br