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Dihydroaminopterin
group of stereoisomers with the chemical formula C₁₉H₂₂N₈O₅
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Statements
instance of
group of stereoisomers
0 references
subclass of
chemical compound
0 references
mass
442.17131580399996
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₉H₂₂N₈O₅
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
N=C1N=C2NC=C(CNc3ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc3)N=C2C(N)N1
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
N=C1N=C2NC=C(CNc3ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc3)N=C2C(N)N1
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C19H22N8O5/c20-15-14-16(27-19(21)26-15)23-8-11(24-14)7-22-10-3-1-9(2-4-10)17(30)25-12(18(31)32)5-6-13(28)29/h1-4,8,12,15,22H,5-7,20H2,(H,25,30)(H,28,29)(H,31,32)(H3,21,23,26,27)/t12-,15?/m0/s1
0 references
InChIKey
SWIWRMRRLKUTKE-SFVWDYPZSA-N
0 references
CAS Registry Number
36093-88-6
1 reference
InChIKey
SWIWRMRRLKUTKE-SFVWDYPZSA-N
stated in
CAS Common Chemistry
retrieved
8 April 2021
reference URL
https://commonchemistry.cas.org/detail?cas_rn=36093-88-6
PubChem CID
56842358
1 reference
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
UniChem compound ID
53558048
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID90189676
0 references
DSSTOX compound identifier
DTXCID50112167
0 references
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