(6aS,9R)-9-butoxy-3-hydroxy-2-methoxy-5,6,6a,7,8,9-hexahydropyrrolo[2,1-c][1,4]benzodiazepin-11-one
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![(6aS,9R)-9-butoxy-3-hydroxy-2-methoxy-5,6,6a,7,8,9-hexahydropyrrolo[2,1-c][1,4]benzodiazepin-11-one structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/c62e65057ceb4d7a86a71579e01dac01.png "(6aS,9R)-9-butoxy-3-hydroxy-2-methoxy-5,6,6a,7,8,9-hexahydropyrrolo[2,1-c][1,4]benzodiazepin-11-one")
(6aS,9R)-9-butoxy-3-hydroxy-2-methoxy-5,6,6a,7,8,9-hexahydropyrrolo[2,1-c][1,4]benzodiazepin-11-one
structure -
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CAS No:
72274-96-5
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Formula:
C17H24N2O4
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Chemical Name:
(6aS,9R)-9-butoxy-3-hydroxy-2-methoxy-5,6,6a,7,8,9-hexahydropyrrolo[2,1-c][1,4]benzodiazepin-11-one
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Synonyms:
72274-96-5;3-O-Butyl-10,11-dihydroneothramycin B;DTXSID90993033;3-Butoxy-1,2,3,10,11,11a-hexahydro-8-hydroxy-7-methoxy-5H-pyrrolo(2,1-c)(1,4)benzodiazepin-5-one (3R-cis)-;5H-Pyrrolo(2,1-c)(1,4)benzodiazepin-5-one, 3-butoxy-1,2,3,10,11,11a-hexahydro-8-hydroxy-7-methoxy-, (3R-cis)-;3-Butoxy-8-hydroxy-7-methoxy-1,2,3,10,11,11a-hexahydro-5H-pyrrolo[2,1-c][1,4]benzodiazepin-5-one
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CAS No:
(6aS,9R)-9-butoxy-3-hydroxy-2-methoxy-5,6,6a,7,8,9-hexahydropyrrolo[2,1-c][1,4]benzodiazepin-11-one Basic Attributes
320.4 g/mol
320.17360725 g/mol
Computed Properties
Molecular Weight:320.4
XLogP3:2.6
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:5
Exact Mass:320.17360725
Monoisotopic Mass:320.17360725
Topological Polar Surface Area:71
Heavy Atom Count:23
Complexity:419
Defined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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