53319175
  -OEChem-05102422532D

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M  END
> <PUBCHEM_COMPOUND_CID>
53319175

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
576

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
5

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
14

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcfB7MAAAAAAAAAAAAAAAAAAAAAAAAAA8YMEAAAAAAACx9AAAHgAQAAAADAzBngYyxvLIFACgAyRiRACCiCAhIiAImKA+7JgNJuLE8duENCpk0BHK6Aew0NIOIAABAAACQABAAAIAAASAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
N-[(3,4-dimethoxyphenyl)methyl]-N'-(1,2,3,4-tetrahydroacridin-9-yl)octane-1,8-diamine

> <PUBCHEM_IUPAC_CAS_NAME>
N-[(3,4-dimethoxyphenyl)methyl]-N'-(1,2,3,4-tetrahydroacridin-9-yl)octane-1,8-diamine

> <PUBCHEM_IUPAC_NAME_MARKUP>
<I>N</I>-[(3,4-dimethoxyphenyl)methyl]-<I>N</I>&apos;-(1,2,3,4-tetrahydroacridin-9-yl)octane-1,8-diamine

> <PUBCHEM_IUPAC_NAME>
N-[(3,4-dimethoxyphenyl)methyl]-N'-(1,2,3,4-tetrahydroacridin-9-yl)octane-1,8-diamine

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
N-[(3,4-dimethoxyphenyl)methyl]-N'-(1,2,3,4-tetrahydroacridin-9-yl)octane-1,8-diamine

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
1,2,3,4-tetrahydroacridin-9-yl-[8-(veratrylamino)octyl]amine

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C30H41N3O2/c1-34-28-18-17-23(21-29(28)35-2)22-31-19-11-5-3-4-6-12-20-32-30-24-13-7-9-15-26(24)33-27-16-10-8-14-25(27)30/h7,9,13,15,17-18,21,31H,3-6,8,10-12,14,16,19-20,22H2,1-2H3,(H,32,33)

> <PUBCHEM_IUPAC_INCHIKEY>
GPCBLOVWOCSGGF-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
6.9

> <PUBCHEM_EXACT_MASS>
475.31987756

> <PUBCHEM_MOLECULAR_FORMULA>
C30H41N3O2

> <PUBCHEM_MOLECULAR_WEIGHT>
475.7

> <PUBCHEM_OPENEYE_CAN_SMILES>
COC1=C(C=C(C=C1)CNCCCCCCCCNC2=C3CCCCC3=NC4=CC=CC=C42)OC

> <PUBCHEM_OPENEYE_ISO_SMILES>
COC1=C(C=C(C=C1)CNCCCCCCCCNC2=C3CCCCC3=NC4=CC=CC=C42)OC

> <PUBCHEM_CACTVS_TPSA>
55.4

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
475.31987756

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
35

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_UDEF_STEREO_COUNT>
0

> <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

> <PUBCHEM_COMPONENT_COUNT>
1

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
12  13  8
13  19  8
13  22  8
19  23  8
22  25  8
23  26  8
25  26  8
28  29  8
28  30  8
29  31  8
30  32  8
31  33  8
32  33  8
4  11  8
4  19  8
6  11  8
6  12  8

$$$$