Amelparib dihydrochloride dihydrate
10-ethoxy-8-(morpholin-4-ylmethyl)-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-5-one;dihydrate;dihydrochloride
Molecular Identity
Amelparib dihydrochloride dihydrate
10-ethoxy-8-(morpholin-4-ylmethyl)-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-5-one;dihydrate;dihydrochloride
PubChem CID: 71661804
2D Structure
Properties
C19H31Cl2N3O5
Molecular Formula
452.40
Molecular Weight
g/mol
451.1641
Exact Mass
Da
64.8
TPSA
Good oral absorption (< 140 A²)
6
H-Bond Donors
7
H-Bond Acceptors
530
Complexity
SMILES
Canonical SMILES
SMILES: CCOC1=CC(=CC2=C1C3=C(CCCN3)C(=O)N2)CN4CCOCC4.O.O.Cl.ClIsomeric SMILES
SMILES: CCOC1=CC(=CC2=C1C3=C(CCCN3)C(=O)N2)CN4CCOCC4.O.O.Cl.ClSynonyms(11)
JPI-289Amelparib dihydrochloride dihydrate1449233-60-6H15GT9J2LBBenzo(H)-1,6-naphthyridin-5(1H)-one, 10-ethoxy-2,3,4,6-tetrahydro-8-(4-morpholinylmethyl)-, hydrochloride, hydrate (1:2:2)RefChem:11189110-Ethoxy-8-(morpholinomethyl)-1,2,3,4-tetrahydrobenzo[h][1,6]naphthyridin-5(6H)-one dihydrochloride dihydrateUNII-H15GT9J2LBCHEMBL5314421SCHEMBL1624527410-Ethoxy-8-(morpholinomethyl)-1,2,3,4-tetrahydrobenzo[h][1,6]naphthyridin-5(6H)-onedihydrochloridedihydrate
Data from PubChem (NCBI)
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