Acetic acid, methoxy-, aporphine-10,11-diyl ester, tartrate

HCID 43632

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Basic information

CAS: 61389-42-2
Standard SMILES: COCC(=O)Oc1ccc2c(c1OC(=O)COC)-c1cccc3c1[C@@H](C2)N(C)CC3.O=C(O)[C@H](O)[C@@H](O)C(=O)O
InChIKey: KSAZWULCPBJGKG-MYNXEKQJSA-N
Molecular formula: C27H31NO12
Average molar mass: 561.5 g/mol
Monoisotopic mass: 561.18462542

Names & identifiers

Preferred name: Acetic acid, methoxy-, aporphine-10,11-diyl ester, tartrate
IUPAC: [(6aR)-11-(2-methoxyacetyl)oxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-10-yl] 2-methoxyacetate;(2R,3R)-2,3-dihydroxybutanedioic acid

Names & synonyms

Aporphine-10,11-diyl methoxyacetate tartrate61389-42-2ACETIC ACID, METHOXY-, APORPHINE-10,11-DIYL ESTER, TARTRATERefChem:316651DTXSID40976932(2R,3R)-2,3-Dihydroxybutanedioic acid--(6aR)-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-10,11-diyl bis(methoxyacetate) (1/1)2,3-Dihydroxybutanedioic acid--6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-10,11-diyl bis(methoxyacetate) (1/1)

Database identifiers

CAS: 61389-42-2
PubChem CID: 43632
DTXSID: DTXSID40976932

Properties

Computed structural properties

Topological polar surface area: 189 Å²
Hydrogen bond donors: 4
Hydrogen bond acceptors: 13
Rotatable bonds: 11
Heavy atoms: 40
Formal charge: 0
Complexity: 761

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