APORPHINE-10,11-DIOL, DIACETATE

[(6aS)-11-acetyloxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-10-yl] acetate

CAS: 18720-24-6

Molecular Formula	`C21H21NO4`
Molecular Weight	351.4 g/mol
LogP	2.5
Topological Polar Surface Area	55.8 A2
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	5
Rotatable Bonds	4
Exact Mass	351.14706
Heavy Atoms	26
Complexity	564.0

Chemical Identifiers

CAS Number	18720-24-6
SMILES	`CC(=O)OC1=C(C2=C(CC3C4=C(CCN3C)C=CC=C42)C=C1)OC(=O)C`
InChIKey	`PJAGGJPKGNYFJH-KRWDZBQOSA-N`

📖 Product Overview

APORPHINE-10,11-DIOL, DIACETATE (CAS: 18720-24-6) is a chemical compound with molecular formula C21H21NO4 and molecular weight 351.4 g/mol. Its IUPAC systematic name is [(6aS)-11-acetyloxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-10-yl] acetate. LogP 2.5 Topological Polar Surface Area 55.8 A2 Hydrogen Bond Donors 0 Hydrogen Bond Acceptors 5 Rotatable Bonds 4 Exact Mass 351.14706 Heavy Atoms 26 Complexity 564.0 InChI Key: PJAGGJPKGNYFJH-KRWDZBQOSA-N. SMILES: CC(=O)OC1=C(C2=C(CC3C4=C(CCN3C)C=CC=C42)C=C1)OC(=O)C.

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