Estrynamine
[CAS# 115058-60-1]

Identification

• Name: Estrynamine
• Synonyms: 17-(3'-Amino-1'-Propyn-1'-Yl)Estradiol; Estra-1,3,5(10)-Triene-3,17-Diol, 17-(3-Amino-1-Propynyl)-, (17Beta)-; Estrynamine
• Molecular Formula: C₂₁H₂₇NO₂
• Molecular Weight: 325.45
• CAS Registry Number: 115058-60-1
• SMILES: [C@H]34[C@H]2[C@@H](C1=CC=C(O)C=C1CC2)CC[C@@]3([C@@](O)(CC4)C#CCN)C
• 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