Cyheptamide - CAS 7199-29-3
Catalog: |
BB034511 |
Product Name: |
Cyheptamide |
CAS: |
7199-29-3 |
Synonyms: |
10,11-Dihydro-5H-dibenzo[a,d]cycloheptene-5-carboxamide; AY 8682; BS 7029; Carbamazepam; ICI 51426 |
IUPAC Name: | tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene-2-carboxamide |
Description: | Cyheptamide is an analogue of Carbamazepine which is used in treatment of pain associated with trigeminal neuralgia. |
Molecular Weight: | 237.30 |
Molecular Formula: | C16H15NO |
Canonical SMILES: | C1CC2=CC=CC=C2C(C3=CC=CC=C31)C(=O)N |
InChI: | InChI=1S/C16H15NO/c17-16(18)15-13-7-3-1-5-11(13)9-10-12-6-2-4-8-14(12)15/h1-8,15H,9-10H2,(H2,17,18) |
InChI Key: | APBVLLORZMAWKI-UHFFFAOYSA-N |
Boiling Point: | 438.8 °C at 760 mmHg |
Melting Point: | 189-191 °C |
Density: | 1.173 g/cm3 |
Solubility: | Soluble in Chloroform (Slightly), Methanol (Slightly) |
Appearance: | White solid |
Storage: | -20 °C |
LogP: | 3.10270 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
US-2021322447-A1 | Transdermal micro-dosing delivery of psychedelics derivatives | 20200416 |
WO-2021209815-A1 | Transdermal micro-dosing delivery of psychedelics derivatives | 20200416 |
US-2021145731-A1 | Multimodal compositions and methods of treatment | 20191114 |
WO-2021097247-A1 | Multimodal compositions and methods of treatment | 20191114 |
US-2021128511-A1 | Prodrug compositions and methods of treatment | 20191101 |
PMID | Publication Date | Title | Journal |
22223467 | 20120901 | A sensitive capillary GC-MS method for analysis of topiramate from plasma obtained from single-dose studies | Biomedical chromatography : BMC |
21203100 | 20080705 | Cytenamide-formic acid (1/1) | Acta crystallographica. Section E, Structure reports online |
21202967 | 20080628 | Cytenamide-1,4-dioxane (2/1) | Acta crystallographica. Section E, Structure reports online |
21202925 | 20080619 | Cytenamide-butyric acid (1/1) | Acta crystallographica. Section E, Structure reports online |
21202853 | 20080607 | Cytenamide trifluoro-acetic acid solvate | Acta crystallographica. Section E, Structure reports online |
Complexity: | 290 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 237.115364102 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 237.115364102 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 43.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.4 |
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