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Substance Name: Testosterone-dah-fluorescein
RN: 75585-82-9
InChIKey: PPPVAPQNXWHRIY-KCOCSCPXSA-N

Molecular Weight

  • 863.083
 
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Names and Synonyms

Name of Substance

  • Testosterone-dah-fluorescein

Synonym

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

Systematic Name

  • Benzoic acid, 5-((((7-((((((17beta)-17-hydroxyandrost-4-en-3-ylidene)amino)oxy)acetyl)amino)heptyl)amino)thioxomethyl)amino)-2-(6-hydroxy-3-oxo-3H-xanthen-9-yl)-

Registry Numbers

CAS Registry Number

  • 75585-82-9

System Generated Number

  • 0075585829

Structure Descriptors

InChI

1S/C49H58N4O8S/c1-47-20-18-31(24-29(47)8-12-34-36-16-17-43(56)48(36,2)21-19-37(34)47)53-59-28-44(57)50-22-6-4-3-5-7-23-51-46(62)52-30-9-13-38-35(25-30)45(58)61-49(38)39-14-10-32(54)26-41(39)60-42-27-33(55)11-15-40(42)49/h9-11,13-15,24-27,34,36-37,43,54-56H,3-8,12,16-23,28H2,1-2H3,(H,50,57)(H2,51,52,62)/b53-31-/t34?,36?,37?,43-,47-,48-/m0/s1

InChIKey

PPPVAPQNXWHRIY-KCOCSCPXSA-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)NCCCCCCCNC(=S)Nc1cc2C(OC3(c2cc1)c1ccc(cc1Oc1cc(ccc31)O)O)=O