Pregn-2-en-20-yn-17-ol, 17-acetate, (5α,17α)-
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Pregn-2-en-20-yn-17-ol, 17-acetate, (5α,17α)-
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CAS No:
124-85-6
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Formula:
C23H32O2
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Chemical Name:
Pregn-2-en-20-yn-17-ol, 17-acetate, (5α,17α)-
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Synonyms:
Pregn-2-en-20-yn-17-ol,17-acetate,(5α,17α)-;5α,17α-Pregn-2-en-20-yn-17-ol,acetate;Pregn-2-en-20-yn-17-ol,acetate,(5α,17α)-;17α-Ethynyl-5α-androst-2-en 17β-acetate;17α-Ethynyl-5α-androst-2-en-17β-ol 17β-acetate;TX 380;NSC 69588
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CAS No:
Characteristics
26.3
5.6
1.0555 (rough estimate)
127-127.5 °C
416.28°C (rough estimate)
1.4480 (estimate)
LD50 intraperitoneal in mouse: > 2gm/kg
Computed Properties
Molecular Weight:340.5
XLogP3:5.6
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:3
Exact Mass:340.240230259
Monoisotopic Mass:340.240230259
Topological Polar Surface Area:26.3
Heavy Atom Count:25
Complexity:654
Defined Atom Stereocenter Count:7
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
Pregn-2-en-20-yn-17-ol, 17-acetate, (5α,17α)-
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