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Substance Name: Estrynamine
RN: 115058-60-1
InChIKey: KEJIBDQSDKTWLS-MJCUULBUSA-N

Molecular Formula

  • C21-H27-N-O2

Molecular Weight

  • 325.449
 
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Names and Synonyms

Name of Substance

  • Estrynamine

Synonym

  • 17-(3'-Amino-1'-propyn-1'-yl)estradiol

Systematic Name

  • Estra-1,3,5(10)-triene-3,17-diol, 17-(3-amino-1-propynyl)-, (17beta)-

Registry Numbers

CAS Registry Number

  • 115058-60-1

System Generated Number

  • 0115058601

Structure Descriptors

InChI

1S/C21H27NO2/c1-20-10-7-17-16-6-4-15(23)13-14(16)3-5-18(17)19(20)8-11-21(20,24)9-2-12-22/h4,6,13,17-19,23-24H,3,5,7-8,10-12,22H2,1H3/t17-,18-,19+,20+,21+/m1/s1

InChIKey

KEJIBDQSDKTWLS-MJCUULBUSA-N

Smiles

c1c(cc2CC[C@@H]3[C@@H](c2c1)CC[C@@]1([C@H]3CC[C@@]1(O)C#CCN)C)O