O,O'-Di(4-methylbenzoyl)apomorphine

Base Information

• Chemical Name: O,O'-Di(4-methylbenzoyl)apomorphine
• CAS No.: 99640-33-2
• Molecular Formula: C33H29NO4
• Molecular Weight: 503.5877
• DSSTox Substance ID: DTXSID50244174
• Wikidata: Q76156114

Synonyms:O,O'-Di(4-methylbenzoyl)apomorphine;4-Methylbenzoic acid 5,6,6a,7-tetrahydro-6-methyl-4H-dibenzo(de,g)quinoline-10,11-diyl ester;4H-Dibenzo(de,g)quinoline-10,11-diol, 5,6,6a,7-tetrahydro-6-methyl-, bis(p-methylbenzoate);99640-33-2;Benzoic acid, 4-methyl-, 5,6,6a,7-tetrahydro-6-methyl-4H-dibenzo(de,g)quinoline-10,11-diyl ester;DTXSID50244174;LS-37978

Chemical Property of O,O'-Di(4-methylbenzoyl)apomorphine

Chemical Property:

• Vapor Pressure: 9.38E-20mmHg at 25°C
• Boiling Point: 705.5°Cat760mmHg
• Flash Point: 380.5°C
• Density: 1.233g/cm³
• XLogP3: 6.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 6
• Exact Mass: 503.20965841
• Heavy Atom Count: 38
• Complexity: 844

Purity/Quality:

Safty Information:

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)C(=O)OC2=C(C3=C(CC4C5=C(CCN4C)C=CC=C53)C=C2)OC(=O)C6=CC=C(C=C6)C
• Isomeric SMILES: CC1=CC=C(C=C1)C(=O)OC2=C(C3=C(C[C@@H]4C5=C(CCN4C)C=CC=C53)C=C2)OC(=O)C6=CC=C(C=C6)C

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