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(Q82842440)
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English
(4R)-4-(Dimethylamino)-1,10,11,12a-tetrahydroxy-3,12-dioxo-3,4,4a,5,5a,6,12,12a-octahydrotetracene-2-carboxamide--hydrogen chloride (1/1)
chemical compound
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Statements
instance of
group of stereoisomers
0 references
subclass of
chemical compound
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mass
450.119378756
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₁H₂₃ClN₂O₇
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
CN(C)C1C(=O)C(C(=N)O)=C(O)C2(O)C(=O)C3=C(O)c4c(O)cccc4CC3CC12.Cl
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
CN(C)[C@H]1C(=O)C(C(=N)O)=C(O)C2(O)C(=O)C3=C(O)c4c(O)cccc4CC3CC12.Cl
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C21H22N2O7.ClH/c1-23(2)15-10-7-9-6-8-4-3-5-11(24)12(8)16(25)13(9)18(27)21(10,30)19(28)14(17(15)26)20(22)29;/h3-5,9-10,15,24-25,28,30H,6-7H2,1-2H3,(H2,22,29);1H/t9?,10?,15-,21?;/m1./s1
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InChIKey
CIJFGLCHAOVWRZ-FLSPFTRFSA-N
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CAS Registry Number
906364-48-5
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PubChem CID
71433750
1 reference
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
UniChem compound ID
57441797
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID90849541
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DSSTOX compound identifier
DTXCID80800282
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