(6aS)-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-10,11-diol

Base Information

• Chemical Name: (6aS)-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-10,11-diol
• CAS No.: 39478-62-1
• Molecular Formula: C17H17NO2
• Molecular Weight: 267.32200
• Hs Code.: 2933990090
• UNII: LH812IV7LI
• DSSTox Substance ID: DTXSID40192615
• Nikkaji Number: J322.345K
• Wikidata: Q27088690
• Pharos Ligand ID: 5JT1J6ANKW74
• ChEMBL ID: CHEMBL416288
• Mol file: 39478-62-1.mol

Synonyms:S-apomorphine;S-(+)-apomorphine;Apomorphine, S-;39478-62-1;LH812IV7LI;(6aS)-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-10,11-diol;(+)-10,11-Dihydroxyaporphine;S(+)-APOMORPHINE;UNII-LH812IV7LI;4H-Dibenzo(de,g)quinoline-10,11-diol, 5,6,6a,7-tetrahydro-6-methyl-, (S)-;CHEMBL416288;Lopac-A-4393;S(+)-10,11-DIHYDROXYAPORPHINE HYDROCHLORIDE;Apomorphine,(+);hydrochloride;Oprea1_044402;GTPL8285;SCHEMBL6922802;BDBM29643;cid_6852389;DTXSID40192615;(6as)-10,11-dihydroxyaporphine;BBL015178;PDSP1_001504;PDSP2_000768;STK088477;AKOS004119832;NCGC00015057-01;NCGC00142462-01;Q27088690;(S)-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-10,11-diol;(6AS)-5,6,6A,7-TETRAHYDRO-6-METHYL-4H-DIBENZO(DE,G)QUINOLINE-10,11-DIOL;4H-DIBENZO(DE,G)QUINOLINE-10,11-DIOL, 5,6,6A,7-TETRAHYDRO-6-METHYL-, (6AS)-

Chemical Property of (6aS)-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-10,11-diol

Chemical Property:

• PSA: 43.70000
• LogP: 2.78780
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 267.125928785
• Heavy Atom Count: 20
• Complexity: 374

Purity/Quality:

95%+ or 98%+ ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CN1CCC2=C3C1CC4=C(C3=CC=C2)C(=C(C=C4)O)O
• Isomeric SMILES: CN1CCC2=C3[C@@H]1CC4=C(C3=CC=C2)C(=C(C=C4)O)O