11-(4-hydroxy-3-iodo-5-methoxyphenyl)-3,3-dimethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one

Base Information

• Chemical Name: 11-(4-hydroxy-3-iodo-5-methoxyphenyl)-3,3-dimethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
• CAS No.: 5927-09-3
• Molecular Formula: C22H23IN2O3
• Molecular Weight: 490.3
• DSSTox Substance ID: DTXSID80386935
• Mol file: 5927-09-3.mol

Synonyms:5927-09-3;11-(4-hydroxy-3-iodo-5-methoxyphenyl)-3,3-dimethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one;6-(4-hydroxy-3-iodo-5-methoxyphenyl)-9,9-dimethyl-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepin-7-one;Oprea1_325041;Oprea1_669250;Oprea1_834515;DTXSID80386935;JKEZDEFIOJYTBA-UHFFFAOYSA-N;STK023617;STK868326;AKOS000621501;AKOS005379044;AKOS021989831;EU-0005032;AB00101053-01;AK-968/12862243;SR-01000450561;SR-01000450561-1;11-(4-Hydroxy-3-iodo-5-methoxy-phenyl)-3,3-dimethyl-2,3,4,5,10,11-hexahydro-dibe;11-(4-hydroxy-3-iodo-5-methoxyphenyl)-3,3-dimethyl-3,4,10,11-tetrahydro-2H-dibenzo[b,e][1,4]diazepin-1-ol

Chemical Property of 11-(4-hydroxy-3-iodo-5-methoxyphenyl)-3,3-dimethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one

Chemical Property:

• Vapor Pressure: 8.24E-14mmHg at 25°C
• XLogP3: 4.5
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 490.07534
• Heavy Atom Count: 28
• Complexity: 650

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1(CC2=C(C(NC3=CC=CC=C3N2)C4=CC(=C(C(=C4)I)O)OC)C(=O)C1)C