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Home> Hot Product Listed O   > OPREA1_037979
1405-89-6 structure

OPREA1_037979

CAS No.:1405-89-6
Molecular Weight:1488.10232
Molecular Formula:C22H20N2O5 (isomer)
Names and Identifiers
Synonyms

7-((pyridin-2-ylamino)(pyridin-3-yl)methyl)quinolin-8-ol 7-[(pyridin-2-ylamino)(pyridin-3-yl)methyl]quinolin-8-ol 7-[3-pyridyl(2-pyridylamino)methyl]quinolin-8-ol 7-[pyridin-3-yl-(pyridin-2-ylamino)methyl]quinolin-8-ol 7-[pyridin-3-yl(pyridin-2-ylamino)methyl]quinolin-8-ol 7-{[(pyridin-2-yl)amino](pyridin-3-yl)methyl}quinolin-8-ol AC1N5KTL AKOS000808300 AKOS016281838 CHEMBL3715521 F0842-0010 HMS1734M14 MCULE-8007580147 MOLPORT-000-422-671 OPREA1_074922 SCHEMBL14907817 sr-01000445783 SR-01000445783-1 SR-01000445783-2 ST50037483 STL487318 Z56174642

Inchi
InChI=1/C66H103N17O16S.Zn/c1-9-35(6)52(69)66-81-48(32-100-66)63(97)76-43(26-34(4)5)59(93)74-42(22-23-50(85)86)58(92)83-53(36(7)10-2)64(98)75-40-20-15-16-25-71-55(89)46(29-49(68)84)78-62(96)47(30-51(87)88)79-61(95)45(28-39-31-70-33-72-39)77-60(94)44(27-38-18-13-12-14-19-38)80-65(99)54(37(8)11-3)82-57(91)41(21-17-24-67)73-56(40)90;/h12-14,18-19,31,33-37,39-48,52-54H,9-11,15-17,20-30,32,67,69H2,1-8H3,(H2,68,84)(H,71,89)(H,73,90)(H,74,93)(H,75,98)(H,76,97)(H,77,94)(H,78,96)(H,79,95)(H,80,99)(H,82,91)(H,83,92)(H,85,86)(H,87,88);
Canonical Smiles
CCC(C)C1C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NCCCCC(C(=O)NC(C(=O)N1)CCCN)NC(=O)C(C(C)CC)NC(=O)C(CCC(=O)O)NC(=O)C(CC(C)C)NC(=O)C2CSC(=N2)C(C(C)CC)N)CC(=O)N)CC(=O)O)CC3C=NC=N3)CC4=CC=CC=C4.[Zn]
Properties
Melting Point
250℃ (dec.)
Safety and Handling
Safety Statements
S24/25
Reach Info
Globally, no enterprise has officially registered the substance REACH.
Other official information: ·ECHA Information Page for CAS: 1405-89-6 EC: OPREA1_037979 ·ECHA C&L Inventory for CAS: CAS: 1405-89-6 EC: OPREA1_037979
Computational chemical data
  • Molecular Weight:1488.10232g/mol
  • Molecular Formula:C22H20N2O5
  • Exact Mass:1485.678088
  • Monoisotopic Mass:1485.678088
  • Complexity:2950
  • Rotatable Bond Count:31
  • Hydrogen Bond Donor Count:16
  • Hydrogen Bond Acceptor Count:21
  • Topological Polar Surface Area:552
  • Heavy Atom Count:101
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:16
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:2
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  • Tel:86-571-85829152
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