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(Q83123971)
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English
1-Amino-4-((3,5-bis(((chloroacetyl)amino)methyl)-2,4,6-trimethylphenyl)amino)-9,10-dihydro-9,10-dioxoanthracene-2-sulphonic acid
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
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mass
646.1055755960002
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₂₉H₂₈Cl₂N₄O₇S
0 references
canonical SMILES
CC1=C(C(=C(C(=C1CNC(=O)CCl)C)NC2=CC(=C(C3=C2C(=O)C4=CC=CC=C4C3=O)N)S(=O)(=O)O)C)CNC(=O)CCl
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Identifiers
InChI
InChI=1S/C29H28Cl2N4O7S/c1-13-18(11-33-22(36)9-30)14(2)27(15(3)19(13)12-34-23(37)10-31)35-20-8-21(43(40,41)42)26(32)25-24(20)28(38)16-6-4-5-7-17(16)29(25)39/h4-8,35H,9-12,32H2,1-3H3,(H,33,36)(H,34,37)(H,40,41,42)
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InChIKey
JCMYEBPPMIUWCN-UHFFFAOYSA-N
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CAS Registry Number
94159-06-5
1 reference
InChIKey
JCMYEBPPMIUWCN-UHFFFAOYSA-N
stated in
CAS Common Chemistry
retrieved
9 April 2021
reference URL
https://commonchemistry.cas.org/detail?cas_rn=94159-06-5
PubChem CID
166519
1 reference
matched by identifier from
InChIKey
InChIKey
JCMYEBPPMIUWCN-UHFFFAOYSA-N
UniChem compound ID
45894645
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID10240854
1 reference
matched by identifier from
InChIKey
InChIKey
JCMYEBPPMIUWCN-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID40163345
0 references
UNII
VW2Q4Z2GQU
1 reference
matched by identifier from
InChIKey
InChIKey
JCMYEBPPMIUWCN-UHFFFAOYSA-N
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