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1,3-Benzenedicarboxylic acid, bis(3-(octahydro-1-methylcyclopenta(b)pyrrol-2-yl)propyl) ester, dihydrochloride, (2-alpha(2R*,3aS*,6aS*),3a-beta,6a-beta)-

HCID 3079360
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Basic information

CAS
125503-52-8
Standard SMILES
CN1C(CCCOC(=O)c2cccc(C(=O)OCCC[C@@H]3C[C@@H]4CCC[C@@H]4N3C)c2)CC2CCCC21.Cl.Cl
InChIKey
GTUYQSDRGMCESD-DCGOCGOKSA-N
Molecular formula
C30H46Cl2N2O4
Average molar mass
569.6 g/mol
Monoisotopic mass
568.2834633

Names & identifiers

Preferred name
1,3-Benzenedicarboxylic acid, bis(3-(octahydro-1-methylcyclopenta(b)pyrrol-2-yl)propyl) ester, dihydrochloride, (2-alpha(2R*,3aS*,6aS*),3a-beta,6a-beta)-
IUPAC
1-O-[3-[(2R,3aS,6aS)-1-methyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-2-yl]propyl] 3-O-[3-(1-methyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-2-yl)propyl] benzene-1,3-dicarboxylate;dihydrochloride

Names & synonyms

125503-52-81,3-Benzenedicarboxylic acid, bis(3-(octahydro-1-methylcyclopenta(b)pyrrol-2-yl)propyl) ester, dihydrochloride, (2-alpha(2R*,3aS*,6aS*),3a-beta,6a-beta)-RefChem:217774DTXSID309251563-[(2R,3aS,6aS)-1-Methyloctahydrocyclopenta[b]pyrrol-2-yl]propyl 3-(1-methyloctahydrocyclopenta[b]pyrrol-2-yl)propyl benzene-1,3-dicarboxylate--hydrogen chloride (1/2)Bis[3-(1-methyloctahydrocyclopenta[b]pyrrol-2-yl)propyl] benzene-1,3-dicarboxylate--hydrogen chloride (1/2)

Database identifiers

CAS
125503-52-8
PubChem CID
3079360
DTXSID
DTXSID30925156

Properties

Computed structural properties

Topological polar surface area
59.1 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
6
Rotatable bonds
12
Heavy atoms
38
Formal charge
0
Complexity
699

Related reactions

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Compound notes

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