Bay v 3522
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Bay v 3522
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CAS No:
120635-27-0
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Formula:
C19H19N5O4S2.H2O
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Chemical Name:
Bay v 3522
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Synonyms:
Bay v 3522;(6R)-7α-[[(R)-Amino(2-aminobenzothiazol-6-yl)acetyl]amino]-8-oxo-3-[(Z)-1-propenyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid;(7R)-7β-[[(R)-Amino(2-aminobenzothiazol-6-yl)acetyl]amino]-3-[(Z)-1-propenyl]cepham-3-ene-4-carboxylic acid;7β-[[(R)-Amino(2-aminobenzothiazol-6-yl)acetyl]amino]-3-[(Z)-1-propenyl]cepham-3-ene-4-carboxylic acid
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CAS No:
Drug Information
7-(2-amino-2-(2-aminobenzothiazol-6-yl-acetoamide))-3-(1-propen-1-yl)-3-cephem-4-carboxylic acid
Computed Properties
Molecular Weight:445.5
XLogP3:1.4
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:5
Exact Mass:445.08784645
Monoisotopic Mass:445.08784645
Topological Polar Surface Area:205
Heavy Atom Count:30
Complexity:819
Defined Atom Stereocenter Count:3
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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