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6-Bromo-androstan-3,17-dione

CSA Names: 6-Bromo-androstan-3,17-dione
CSA Location: Schedule III Section (f) Subsection (1.0)(66)
CSA History: H.R. 4771, 113 Cong., 2nd Sess. added effective 18 Dec 2014
Names: (5α,6ξ)-6-Bromoandrostane-3,17-dione (other)
(5α)-6-Bromoandrostane-3,17-dione (IUPAC)
Molecular formula: C19H27BrO2
Nominal mass: 366
Average mass: 367.3205
Monoisotopic mass: 366.119443
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Standard InChI: InChI=1S/C19H27BrO2/c1-18-7-5-11(21)9-15(18)16(20)10-12-13-3-4-17(22)19(13,2)8-6-14(12)18/h12-16H,3-10H2,1-2H3/t12-,13-,14-,15+,16?,18+,19-/m0/s1
Standard InChI key: CLQPFVWXHQYORP-ZJPHUBBTSA-N
SMILES: O=C1CC[C@]2([C@H](C1)C(Br)C[C@@H]1[C@@H]2CC[C@]2([C@H]1CCC2=O)C)C
Tags: USCSA,H.R.4771,recent