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(Q72507059)
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English
Saxagliptin hydrochloride hydrate
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
saxagliptin hydrochloride
1 reference
based on heuristic
inferred from SMILES
mass
351.17135475199996
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₈H₂₅N₃O₂·HCl·H₂O
0 references
canonical SMILES
Cl.N#CC1CC2CC2N1C(=O)C(N)C12CC3CC(CC(O)(C3)C1)C2
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
Cl.N#C[C@@H]1C[C@@H]2C[C@@H]2N1C(=O)[C@@H](N)C12CC3CC(CC(O)(C3)C1)C2
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C18H25N3O2.ClH/c19-8-13-2-12-3-14(12)21(13)16(22)15(20)17-4-10-1-11(5-17)7-18(23,6-10)9-17;/h10-15,23H,1-7,9,20H2;1H/t10?,11?,12-,13+,14+,15-,17?,18?;/m1./s1
0 references
InChIKey
TUAZNHHHYVBVBR-NHKADLRUSA-N
1 reference
based on heuristic
inferred from InChI
CAS Registry Number
1370409-28-1
0 references
PubChem CID
49800073
1 reference
matched by identifier from
InChIKey
InChIKey
TUAZNHHHYVBVBR-NHKADLRUSA-N
DSSTox substance ID
DTXSID50991191
1 reference
matched by identifier from
InChIKey
InChIKey
TUAZNHHHYVBVBR-NHKADLRUSA-N
UNII
Z8J84YIX6L
1 reference
matched by identifier from
InChIKey
InChIKey
TUAZNHHHYVBVBR-NHKADLRUSA-N
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