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Doranidazole
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
247.080435136
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
Doranidazole
1 reference
based on heuristic
inferred from InChI
chemical formula
C₈H₁₃N₃O₆
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
O=[N+]([O-])c1nccn1COC(CO)C(O)CO
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
O=[N+]([O-])c1nccn1CO[C@H](CO)[C@@H](O)CO
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C8H13N3O6/c12-3-6(14)7(4-13)17-5-10-2-1-9-8(10)11(15)16/h1-2,6-7,12-14H,3-5H2/t6-,7+/m0/s1
1 reference
stated in
ChEBI release 2021-03-01
InChIKey
FIITXXIVUIXYMI-NKWVEPMBSA-N
1 reference
stated in
ChEBI release 2021-03-01
CAS Registry Number
149838-23-3
1 reference
stated in
CAS (formerly Chemical Abstracts Service)
retrieved
25 January 2022
PubChem CID
636376
1 reference
stated in
ChEBI release 2021-03-01
ChEBI ID
31517
mapping relation type
exact match
2 references
stated in
ChEBI release 2021-03-01
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C8H13N3O6/c12-3-6(14)7(4-13)17-5-10-2-1-9-8(10)11(15)16/h1-2,6-7,12-14H,3-5H2/t6-,7+/m0/s1
UniChem compound ID
32476021
1 reference
stated in
UniChem
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