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Substance Name: Testosterone-dap-fluorescein
RN: 75585-81-8
InChIKey: GGBQMAXQUMJRNU-DDCQBVKZSA-N

Molecular Weight

  • 806.976
 
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Names and Synonyms

Name of Substance

  • Testosterone-dap-fluorescein

Synonym

  • 17beta-Hydroxy-4-androsten-3-one 3-(3',6'-dihydroxyfluoran-5-ylthioureidopropylcarbamoylmethyl)oxime

Systematic Name

  • Benzoic acid, 5-((((3-((((((17beta)-17-hydroxyandrost-4-en-3-ylidene)amino)oxy)acetyl)amino)propyl)amino)thioxomethyl)amino)-2-(6-hydroxy-3-oxo-3H-xanthen-9-yl)-

Registry Numbers

CAS Registry Number

  • 75585-81-8

System Generated Number

  • 0075585818

Structure Descriptors

InChI

1S/C45H50N4O8S/c1-43-16-14-27(20-25(43)4-8-30-32-12-13-39(52)44(32,2)17-15-33(30)43)49-55-24-40(53)46-18-3-19-47-42(58)48-26-5-9-34-31(21-26)41(54)57-45(34)35-10-6-28(50)22-37(35)56-38-23-29(51)7-11-36(38)45/h5-7,9-11,20-23,30,32-33,39,50-52H,3-4,8,12-19,24H2,1-2H3,(H,46,53)(H2,47,48,58)/b49-27-/t30?,32?,33?,39-,43-,44-/m0/s1

InChIKey

GGBQMAXQUMJRNU-DDCQBVKZSA-N

Smiles

C(CO\N=C1\CC[C@@]2([C@@H]3CC[C@@]4([C@H](CC[C@@H]4[C@@H]3CCC2=C1)O)C)C)(=O)NCCCNC(=S)Nc1cc2C(OC3(c2cc1)c1ccc(cc1Oc1cc(ccc31)O)O)=O