Basic information
- CAS
71936-92-0- Standard SMILES
c1ccc2c(c1)Cc1ccccc1N1CCNCC21- InChIKey
ZBILSSSEXRZGKS-UHFFFAOYSA-N- Molecular formula
- C17H18N2
- Average molar mass
- 250.34 g/mol
- Monoisotopic mass
- 250.14699858
Overview
Desmethylmianserin is a dibenzooxazepine.
Names & identifiers
- Preferred name
- Desmethylmianserin
- IUPAC
- 2,5-diazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),8,10,12,15,17-hexaene
- English name
- desmethylmianserin
- Molecular formula
- C17H18N2
- Molecular weight
- 250.34
Names & synonyms
Desmethylmianserin71936-92-0NormianserinN-DesmethylmianserinPI2H4ADR4C1,2,3,4,10,14b-Hexahydrodibenzo[c,f]pyrazino[1,2-a]azepine1,2,3,4,10,14b-Hexahydrodibenzo(c,f)pyrazino(1,2-a)azepineDTXSID20891477Dibenzo(c,f)pyrazino(1,2-a)azepine, 1,2,3,4,10,14b-hexahydro-Dibenzo[c,f]pyrazino[1,2-a]azepine, 1,2,3,4,10,14b-hexahydro-Org OH46RefChem:132244
Show more names
Mianserin impurity EMianserin EP Impurity EN-Desmethyl Mianserin HClMianserin hydrochloride EPdesmethylmianserin ImpurityDesmethylmianserin in methanolMianserin Impurity 5 (Mianserin EP Impurity E)
Org OH-46DTXCID10215901615-697-2Nor MianserinNormianserine2,5-diazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),8,10,12,15,17-hexaeneDemethylmianserinUNII-PI2H4ADR4C
Database identifiers
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 15.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 316
Physicochemical properties
- Melting point
- 87 · 87-89°C
- Boiling point
- 431.3 · 431.3±24.0 °C(Predicted)
- Density
- 1.2 · 1.20±0.1 g/cm3(Predicted)
- storage temp.
- Refrigerator
- solubility
- Acetonitrile (Slightly), DMSO (Slightly)
- form
- Solid
- pka
- 9.2 · 9.20±0.20(Predicted)
- color
- Off-White
- FDA UNII
- 2 H4ADR4C · PI2H4ADR4C
Chemistry & industry
Pharmacology
Metabolism/MetabolitesDesmethylmianserin is a known human metabolite of Mianserine.
Uses & manufacturing
Use ClassificationPharmaceuticals -> Transformation products
Applications
UsesThe active metabolites of Miansein (M341500) in plasma, an antidepressant.
Upstream & downstream products
Upstream raw materials
Suppliers19 total
南京望知星医药科技有限公司18569809817 · [email protected]
孟成科技（上海）有限公司400-820-6829 · [email protected]
山东沃德森生物科技有限公司0531-88723173 18596073690 · [email protected]
深圳摩科生化科技有限公司18627923403 · [email protected]
凯试（上海）科技有限公司021-50135380 · [email protected]
艾吉析科技（上海）有限公司17721401538;17717235263 17721401538 · [email protected]
Related reactions
19 records
Compound notes
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