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(Q72439579)
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English
3-[(4-Amino-2-methyl-5-pyrimidinyl)methyl]-4-methyl-5-[2-(phosphonooxy)ethyl]-thiazolium chloride dihydrate
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
chemical formula
C₁₂H₁₈ClN₄O₄PS
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
Cc1ncc(C[n+]2csc(CCOP(=O)([O-])O)c2C)c(=N)[nH]1.Cl
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C12H17N4O4PS.ClH/c1-8-11(3-4-20-21(17,18)19)22-7-16(8)6-10-5-14-9(2)15-12(10)13;/h5,7H,3-4,6H2,1-2H3,(H3-,13,14,15,17,18,19);1H
0 references
InChIKey
GUGWNSHJDUEHNJ-UHFFFAOYSA-N
1 reference
based on heuristic
inferred from InChI
CAS Registry Number
273724-21-3
0 references
ChEBI ID
18338
mapping relation type
exact match
1 reference
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C12H17N4O4PS.ClH/c1-8-11(3-4-20-21(17,18)19)22-7-16(8)6-10-5-14-9(2)15-12(10)13;/h5,7H,3-4,6H2,1-2H3,(H3-,13,14,15,17,18,19);1H
SureChEMBL ID
SCHEMBL94443
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
GUGWNSHJDUEHNJ-UHFFFAOYSA-N
DrugBank ID
DB16023
1 reference
matched by identifier from
InChIKey
InChIKey
GUGWNSHJDUEHNJ-UHFFFAOYSA-N
UNII
P712T71Q3T
1 reference
matched by identifier from
InChIKey
InChIKey
GUGWNSHJDUEHNJ-UHFFFAOYSA-N
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