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(Q82006664)
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Q82863304
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English
1,4-Bis((3-chloro-2-hydroxypropyl)amino)anthraquinone
chemical compound
9,10-Anthracenedione, 1,4-bis[(3-chloro-2-hydroxypropyl)amino]-
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
422.08001248
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₀H₂₀Cl₂N₂O₄
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
O=C1c2ccccc2C(=O)c2c(NCC(O)CCl)ccc(NCC(O)CCl)c21
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C20H20Cl2N2O4/c21-7-11(25)9-23-15-5-6-16(24-10-12(26)8-22)18-17(15)19(27)13-3-1-2-4-14(13)20(18)28/h1-6,11-12,23-26H,7-10H2
0 references
InChIKey
SYZOCKFTUCTLFQ-UHFFFAOYSA-N
0 references
CAS Registry Number
11075-28-8
reason for deprecated rank
deprecated identifier value
0 references
29311-94-2
1 reference
InChIKey
SYZOCKFTUCTLFQ-UHFFFAOYSA-N
stated in
CAS Common Chemistry
retrieved
9 April 2021
reference URL
https://commonchemistry.cas.org/detail?cas_rn=29311-94-2
PubChem CID
121809
1 reference
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
UniChem compound ID
24378147
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID70276250
0 references
DTXSID80884668
0 references
DSSTOX compound identifier
DTXCID20227575
0 references
DTXCID20876466
0 references
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