BIBN 99
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BIBN 99
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CAS No:
145301-48-0
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Formula:
C31H42ClN5O3
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Chemical Name:
BIBN 99
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Synonyms:
BIBN 99;BIBN-99;Pentanamide, N-(3-(1-(2-(8-chloro-5,6-dihydro-6-oxo-11H-pyrido(2,3-b)(1,4)benzodiazepin-11-yl)-2-oxoethyl)-4-piperidinyl)propyl)-N-ethyl-2,2-dimethyl-;SCHEMBL194898;DTXSID00162975;N-(3-(1-(2-(8-Chloro-5,6-dihydro-6-oxo-11H-pyrido(2,3-b)(1,4)benzodiazepin-11-yl)-2-oxoethyl)-4-piperidinyl)propyl)-N-ethyl-2,2-dimethylpentanamide;N-[3-[1-[2-(8-chloro-6-oxo-5H-pyrido[2,3-b][1,4]benzodiazepin-11-yl)-2-oxoethyl]piperidin-4-yl]propyl]-N-ethyl-2,2-dimethylpentanamide;L008252
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CAS No:
Computed Properties
Molecular Weight:568.1
XLogP3:4.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:10
Exact Mass:567.2976179
Monoisotopic Mass:567.2976179
Topological Polar Surface Area:85.8
Heavy Atom Count:40
Complexity:877
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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