N-[2-(4-Chlorophenyl)ethyl]-7,8-dihydroxy-1,3,4,5-tetrahydro-2H-2-benzazepine-2-carbothioamide | CAS No. 138977-28-3

N-[2-(4-Chlorophenyl)ethyl]-7,8-dihydroxy-1,3,4,5-tetrahydro-2H-2-benzazepine-2-carbothioamide

Basic Information

CAS Number

138977-28-3

Molecular Formula

C19H21ClN2O2S

Molecular Weight

376.91 g/mol

AD

Basic Physical Properties

Melting Point

155-157°C

Boiling Point

581.1°C at 760 mmHg

Density

1.3500

Flash Point

305.3ºC

Solubility

methanol: soluble

Refractive Index

1.67

Vapor Pressure

0.0±1.7 mmHg at 25°C

C1CC2=CC(=C(C=C2CN(C1)C(=S)NCCC3=CC=C(C=C3)Cl)O)O

InChI

InChI=1S/C19H21ClN2O2S/c20-16-5-3-13(4-6-16)7-8-21-19(25)22-9-1-2-14-10-17(23)18(24)11-15(14)12-22/h3-6,10-11,23-24H,1-2,7-9,12H2,(H,21,25)

InChIKey

DRCMAZOSEIMCHM-UHFFFAOYSA-N

LogP

3.6166000000000027

Topological Polar Surface Area

55.730000000000004 Ų

Hydrogen Bond Donor/Acceptor

3 / 4

Complexity

445

Safety Information

View Safety Information

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral
H315 Causes skin irritation
Skin corrosion/irritation
H319 Causes serious eye irritation
Serious eye damage/eye irritation
H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Hazard Class

Class 6.1(a) Class 6.1(a)

Synonyms & References

English

  • N-[2-(4-chlorophenyl)ethyl]-7,8-dihydroxy-1,3,4,5-tetrahydro-2-benzazepine-2-carbothioamide
  • KBio2_002838
  • A857043
  • KBioSS_000270
  • Lopac0_000373
  • BCP12782
  • capasazepine
  • HMS3402N12
  • Q5036336
  • Lopac-C-191
  • Capsazepine, >=98% (HPLC), solid
  • HMS3650G17
  • KBio2_000270
  • GTPL2461
  • CS-1572
  • MLS002153524
  • HMS2230F13
  • NCGC00015190-07
  • NCGC00024602-04
  • NCGC00015190-04
  • NK101
  • AS-74621
  • N-[2-(4-Chlorophenyl)ethyl]-1,3,4,5-tetrahydro-
  • NCGC00015190-14
  • N-(2-(4-chlorophenyl)ethyl)-1,3,4,5-tetrahydro-7,8-dihydroxy-2H-2-Benzazepine-2-carbothioamide
  • 2H-2-Benzazepine-2-carbothioamide, N-[2-(4-chlorophenyl)ethyl]-1,3,4,5-tetrahydro-7,8-dihydroxy-
  • DTXSID20160852
  • HMS3266C14
  • N-[2-(4-chlorophenyl)ethyl]-7,8-dihydroxy-1,3,4,5-tetrahydro-2H-2-benzazepine-2-carbothioamide
  • LP00373
  • Bio2_000270

MDL Number

MFCD00153778

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