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Substance Name: N-(Dexamethasone 21-S-ethyl-2'-amino)tetramethylrhodamine
RN: 99143-17-6
InChIKey: OKOKCFYACFGLQH-INPVLUOTSA-N

Molecular Formula

  • C49-H57-F-N4-O6-S2

Molecular Weight

  • 881.1413
 
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Names and Synonyms

Name of Substance

  • N-(Dexamethasone 21-S-ethyl-2'-amino)tetramethylrhodamine

Synonyms

  • Dex-C2-rho
  • N-(3',6'-Bis(dimethylamino)spiro(isobenzofuran-1(3H),9'-(9H)xanthen)-5(or 6)-yl)-N'-(2-(((11beta,16alpha)-9-fluoro-11,17-dihydroxy-16-methyl-3,20-dioxopregna-1,4-dien-21-yl)thio)ethyl)thiourea

Systematic Name

  • Thiourea, N-(3',6'-bis(dimethylamino)spiro(isobenzofuran-1(3H),9'-(9H)xanthen)-5(or 6)-yl)-N'-(2-(((11beta,16alpha)-9-fluoro-11,17-dihydroxy-16-methyl-3,20-dioxopregna-1,4-dien-21-yl)thio)ethyl)-

Registry Numbers

CAS Registry Number

  • 99143-17-6

System Generated Number

  • 0099143176

Structure Descriptors

InChI

1S/C49H57FN4O6S2/c1-28-20-39-36-12-8-30-22-34(55)16-17-45(30,2)48(36,50)42(56)25-46(39,3)49(28,58)43(57)27-62-19-18-51-44(61)52-31-9-13-35-29(21-31)26-59-47(35)37-14-10-32(53(4)5)23-40(37)60-41-24-33(54(6)7)11-15-38(41)47/h9-11,13-17,21-24,28,36,39,42,56,58H,8,12,18-20,25-27H2,1-7H3,(H2,51,52,61)/t28-,36?,39?,42+,45+,46+,48?,49+/m1/s1

InChIKey

OKOKCFYACFGLQH-INPVLUOTSA-N

Smiles

C[C@@H]1CC2C3CCC4=CC(=O)C=C[C@@]4(C3([C@H](C[C@@]2([C@]1(C(=O)CSCCNC(=S)Nc5ccc6c(c5)COC67c8ccc(cc8Oc9c7ccc(c9)N(C)C)N(C)C)O)C)O)F)C