(15S,17S,19S)-4-bromo-15-ethyl-17-hydroxy-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2(7),3,5,8(18)-tetraene-17-carboxylic acid
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![(15S,17S,19S)-4-bromo-15-ethyl-17-hydroxy-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2(7),3,5,8(18)-tetraene-17-carboxylic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/2dbf9148dd59457899971025a178d721.png "(15S,17S,19S)-4-bromo-15-ethyl-17-hydroxy-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2(7),3,5,8(18)-tetraene-17-carboxylic acid")
(15S,17S,19S)-4-bromo-15-ethyl-17-hydroxy-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2(7),3,5,8(18)-tetraene-17-carboxylic acid
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CAS No:
84964-13-6
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Formula:
C20H23BrN2O3
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Chemical Name:
(15S,17S,19S)-4-bromo-15-ethyl-17-hydroxy-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2(7),3,5,8(18)-tetraene-17-carboxylic acid
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Synonyms:
84964-13-6;DTXSID501005288;Eburnamenine-14-carboxylic acid, 11-bromo-14,15-dihydro-14-hydroxy-, (3alpha,14beta,16alpha)-;11-Bromo-14-hydroxy-14,15-dihydroeburnamenine-14-carboxylic acid
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CAS No:
(15S,17S,19S)-4-bromo-15-ethyl-17-hydroxy-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2(7),3,5,8(18)-tetraene-17-carboxylic acid Basic Attributes
419.3 g/mol
418.08921 g/mol
Computed Properties
Molecular Weight:419.3
XLogP3:0.9
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:418.08921
Monoisotopic Mass:418.08921
Topological Polar Surface Area:65.7
Heavy Atom Count:26
Complexity:618
Defined Atom Stereocenter Count:3
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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