2-Bromoacetamidoestrone methyl ether structure

2-Bromoacetamidoestrone methyl ether

2-bromo-N-[(13S)-3-methoxy-13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-2-yl]acetamide

Also Known As: 2-Bromoacetamidoestrone methyl ether|2-bromo-N-[(13S)-3-methoxy-13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-2-yl]acetamide|2-Bromo-N-(3-methoxy-17-oxoestra-1,3,5(10)-trien-2-yl)acetamide|2-bromo-N-(3-methoxy-17-oxoestra-1,3,5(10)-trien-2-ylacetamide|2-bromo-n-[(8xi,9xi,14xi)-3-methoxy-17-oxoestra-1(10),2,4-trien-2-yl]acetamide|2-Bromo-N-[3-methoxy-17-oxoestra-1(10),2,4-trien-2-yl]ethanimidic acid|Bromo-N-[(8xi,9xi)-3-methoxy-17-oxo-14xi-estra-1(10),2,4-trien-2-yl]ethanimidic acid|2-bromo-N-((8R,9S,13S,14S)-3-methoxy-13-methyl-17-oxo-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthren-2-yl)acetamide

CAS: 6642-13-3
Molecular Formula C21H26BrNO3
Molecular Weight 419.10962 g/mol
LogP 3.4
Topological Polar Surface Area 55.4 Ų
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 3
Rotatable Bonds 3
Exact Mass 419.10962
Monoisotopic Mass 419.10962
Heavy Atoms 26
Complexity 582.0

Chemical Identifiers

CAS Number 6642-13-3
SMILES C[C@]12CCC3C(C1CCC2=O)CCC4=CC(=C(C=C34)NC(=O)CBr)OC
InChIKey VNGDGEGSZSVNCN-AKLDVZJWSA-N

Product Overview

2-Bromoacetamidoestrone methyl ether (CAS 6642-13-3), with molecular formula C21H26BrNO3 and molecular weight 419.10962 g/mol. IUPAC: 2-bromo-N-[(13S)-3-methoxy-13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-2-yl]acetamide.

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
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