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Substance Name: 4,4-Bis(acetylsarcosyl)synestrol
RN: 91147-86-3
InChIKey: WBDUNKZFMFLSMW-ZNKUYNKLSA-N

Molecular Formula

  • C48-H54-Cl4-N4-O6

Molecular Weight

  • 924.789
 
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Names and Synonyms

Name of Substance

  • 4,4-Bis(acetylsarcosyl)synestrol

Synonyms

  • 4,4-Bis(acetylsarcosyl)synestrol
  • Xtl-51

Systematic Name

  • DL-Phenylalanine, N-acetyl-4-(bis(2-chloroethyl)amino)-, (1,2-diethylidene-1,2-ethanediyl)di-4,1-phenylene ester

Registry Numbers

CAS Registry Number

  • 91147-86-3

System Generated Number

  • 0091147863

Structure Descriptors

InChI

1S/C48H54Cl4N4O6/c1-5-43(37-11-19-41(20-12-37)55(33(3)57)45(47(59)60)31-35-7-15-39(16-8-35)53(27-23-49)28-24-50)44(6-2)38-13-21-42(22-14-38)56(34(4)58)46(48(61)62)32-36-9-17-40(18-10-36)54(29-25-51)30-26-52/h5-22,45-46H,23-32H2,1-4H3,(H,59,60)(H,61,62)/b43-5+,44-6+/t45-,46-/m0/s1

InChIKey

WBDUNKZFMFLSMW-ZNKUYNKLSA-N

Smiles

C(\C(=C\C)c1ccc(cc1)N([C@H](C(=O)O)Cc1ccc(cc1)N(CCCl)CCCl)C(=O)C)(=C\C)c1ccc(cc1)N([C@H](C(=O)O)Cc1ccc(cc1)N(CCCl)CCCl)C(=O)C