456705
(DHQ)2AQN
95%
Synonym(s):
Hydroquinine anthraquinone-1,4-diyl diether
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InChI
1S/C54H56N4O6/c1-5-31-29-57-23-19-33(31)25-45(57)53(39-17-21-55-43-13-11-35(61-3)27-41(39)43)63-47-15-16-48(50-49(47)51(59)37-9-7-8-10-38(37)52(50)60)64-54(46-26-34-20-24-58(46)30-32(34)6-2)40-18-22-56-44-14-12-36(62-4)28-42(40)44/h7-18,21-22,27-28,31-34,45-46,53-54H,5-6,19-20,23-26,29-30H2,1-4H3/t31-,32-,33+,34+,45-,46-,53-,54-/m1/s1
SMILES string
CC[C@@H]1CN2CC[C@H]1C[C@@H]2[C@H](Oc3ccc(O[C@@H]([C@H]4C[C@@H]5CCN4C[C@H]5CC)c6ccnc7ccc(OC)cc67)c8C(=O)c9ccccc9C(=O)c38)c%10ccnc%11ccc(OC)cc%10%11
InChI key
ARCFYUDCVYJQRN-KGHNJIHGSA-N
assay
95%
form
solid
optical activity
[α]20/D +495°, c = 1 in chloroform
mp
175-180 °C (lit.)
functional group
ketone
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signalword
Warning
hcodes
Hazard Classifications
Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3
target_organs
Respiratory system
Storage Class
11 - Combustible Solids
wgk
WGK 3
flash_point_f
Not applicable
flash_point_c
Not applicable
ppe
dust mask type N95 (US), Eyeshields, Gloves
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