3-[(1S,2R,3E,5Z)-1-hydroxy-1-[3-(2H-tetrazol-5-yl)phenyl]pentadeca-3,5-dien-2-yl]sulfanylpropanoic acid
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3-[(1S,2R,3E,5Z)-1-hydroxy-1-[3-(2H-tetrazol-5-yl)phenyl]pentadeca-3,5-dien-2-yl]sulfanylpropanoic acid
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CAS No:
98116-53-1
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Formula:
C25H36N4O3S
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Chemical Name:
3-[(1S,2R,3E,5Z)-1-hydroxy-1-[3-(2H-tetrazol-5-yl)phenyl]pentadeca-3,5-dien-2-yl]sulfanylpropanoic acid
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Synonyms:
Sulukast (USAN/INN); Sulukastum [INN-Latin]; Sulukast; Sulukastum; UNII-M652A5186T;
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CAS No:
3-[(1S,2R,3E,5Z)-1-hydroxy-1-[3-(2H-tetrazol-5-yl)phenyl]pentadeca-3,5-dien-2-yl]sulfanylpropanoic acid Basic Attributes
472.64300
472.25081220
M652A5186T
Computed Properties
Molecular Weight:472.6
XLogP3:6.2
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:17
Exact Mass:472.25081220
Monoisotopic Mass:472.25081220
Topological Polar Surface Area:137
Heavy Atom Count:33
Complexity:590
Defined Atom Stereocenter Count:2
Defined Bond Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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