-
Name
6-CHLORO-2,3,4,5-TETRAHYDRO-3-METHYL-1-(3-METHYLPHENYL)-1H-3-BENZAZEPINE-7,8-DIOL, HYDROBROMIDE
- EINECS
- CAS No. 67287-95-0
- Article Data1
- CAS DataBase
- Density
- Solubility
- Melting Point
- Formula C18H20ClNO2•BrH
- Boiling Point
- Molecular Weight 398.73
- Flash Point
- Transport Information
- Appearance
- Safety A poison by intramuscular route. When heated to decomposition it emits toxic vapors of NOx, HBr, Br−, and Cl−.
- Risk Codes
-
Molecular Structure
- Hazard Symbols A poison.
- Synonyms
- PSA
- LogP
6-Chloro-3-methyl-1-(3-methylphenyl)-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol , hydrobromide Chemical Properties
IUPAC Name: 6-chloro-3-methyl-1-(3-methylphenyl)-1,2,4,5-tetrahydro-3-benzazepine-7,8-diol hydrobromide
Molecular Formula C18H21BrClNO2
Molecular Weight 398.72184g/mol
Structure of 6-Chloro-3-methyl-1-(3-methylphenyl)-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol , hydrobromide (CAS NO.67287-95-0):
H-Bond Donor: 2
H-Bond Acceptor: 3
Rotatable Bond Count: 1
Tautomer Count: 31
Exact Mass: 397.044419
MonoIsotopic Mass: 397.044419
Topological Polar Surface Area: 43.7
Heavy Atom Count: 23
Formal Charge: 0
Complexity: 380
Canonical SMILES: CC1=CC=CC(=C1)C2CN(CCC3=C(C(=C(C=C23)O)O)Cl)C.Br
InChI: InChI=1S/C18H20ClNO2.BrH/c1-11-4-3-5-12(8-11)15-10-20(2)7-6-13-14(15)9-16(21)18(22)17(13)19;/h3-5,8-9,15,21-22H,6-7,10H2,1-2H3;1H
InChIKey: FHYWNBUFNGHNCP-UHFFFAOYSA-N
6-Chloro-3-methyl-1-(3-methylphenyl)-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol , hydrobromide Toxicity Data With Reference
| 1. | ims-mky TDLo:10 mg/kg | JPETAB Journal of Pharmacology and Experimental Therapeutics. 293 (2000),1017. |
6-Chloro-3-methyl-1-(3-methylphenyl)-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol , hydrobromide Safety Profile
Safety Statements: 22-24/25
S22:Do not breathe dust.
S24/25:Avoid contact with skin and eyes.
WGK Germany: 3
A poison by intramuscular route. When heated to decomposition it emits toxic vapors of NOx, HBr, Br−, and Cl−.
6-Chloro-3-methyl-1-(3-methylphenyl)-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol , hydrobromide Specification
6-Chloro-3-methyl-1-(3-methylphenyl)-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol, hydrobromide , its cas register number is 67287-95-0. It also can be called SK&F 83959 ; 3-Methyl-6-chloro-2,3,4,5-tetrahydro-7,8-dihydroxy-1-(3-
methylphenyl)-1H-3-benzazepine, hydrobromide . You should avoid contact 6-Chloro-3-methyl-1-(3-methylphenyl)-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol , hydrobromide (CAS NO.67287-95-0) with skin and eyes.
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