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(Q82996168)
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English
(3-{[Hydroxy(2'-{2-[(1-hydroxyethylidene)amino]ethyl}[2,4'-bi-1,3-thiazol]-4-yl)methylidene]amino}propyl)(dimethyl)sulfanium
chemical compound
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Statements
instance of
type of chemical entity
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subclass of
chemical compound
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mass
399.09776539609004
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₁₆H₂₃N₄O₂S₃⁺
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
CC(=O)NCCC1=NC(=CS1)C2=NC(=CS2)C(=O)NCCC[S+](C)C
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Identifiers
InChI
InChI=1S/C16H22N4O2S3/c1-11(21)17-7-5-14-19-13(10-23-14)16-20-12(9-24-16)15(22)18-6-4-8-25(2)3/h9-10H,4-8H2,1-3H3,(H-,17,18,21,22)/p+1
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InChIKey
IGEBMSKHTDMMOM-UHFFFAOYSA-O
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CAS Registry Number
81645-12-7
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PubChem CID
133737
1 reference
matched by identifier from
InChIKey
InChIKey
IGEBMSKHTDMMOM-UHFFFAOYSA-O
UniChem compound ID
62863865
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID101002113
1 reference
matched by identifier from
InChIKey
InChIKey
IGEBMSKHTDMMOM-UHFFFAOYSA-O
DSSTOX compound identifier
DTXCID501429052
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