Basic information
- CAS
14759-04-7- Standard SMILES
COc1ccc2c(c1)N(CCC1CCCCN1C)c1ccccc1S2- InChIKey
QOJDAWZHQLNKDR-UHFFFAOYSA-N- Molecular formula
- C21H26N2OS
- Average molar mass
- 354.5 g/mol
- Monoisotopic mass
- 354.17658463
Names & identifiers
- Preferred name
- Oxyridazine
- IUPAC
- 2-methoxy-10-[2-(1-methylpiperidin-2-yl)ethyl]phenothiazine
- English name
- Oxyridazine
- Molecular formula
- C21H26N2OS
- Molecular weight
- 354.51
Names & synonyms
Oxyridazine14759-04-7OxiridazinumOxyridazinumOxiridazinaOxyridazine [INN]KS 33KS-33Oxyridazinum [INN-Latin]Oxiridazina [INN-Spanish]UNII-OCW5XQQ13IOCW5XQQ13I
Show more names
2-Methoxy-10-[2-(1-methyl-2-piperidyl)ethyl]-10H-phenothiazine10H-Phenothiazine, 2-methoxy-10-[2-(1-methyl-2-piperidinyl)ethyl]-
NSC 186057NSC-1860572-Methoxy-10-(2-(1-methyl-2-piperidyl)ethyl)phenothiazineBRN 61180653-Methoxy-10-(2'-(N-methylpiperidyl-2')-ethyl)phenothiazine10H-Phenothiazine, 2-methoxy-10-(2-(1-methyl-2-piperidyl)ethyl)-4-27-00-02038 (Beilstein Handbook Reference)Phenothiazine, 2-methoxy-10-(2-(1-methyl-2-piperidyl)ethyl)-
Database identifiers
- CAS
14759-04-7- PubChem CID
- 65612
- DTXSID
DTXSID70864530- ChEMBL
CHEMBL2006561- UNII
- OCW5XQQ13I
- Nikkaji
- J15.705H
Properties
Computed structural properties
- XLogP
- 5.4
- Topological polar surface area
- 41 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 434
Physicochemical properties
- Boiling point
- 503.5 · 503.5±50.0 °C(Predicted)
- Density
- 1.137 · 1.137±0.06 g/cm3(Predicted)
- pka
- 9.85 · 9.85±0.10(Predicted)
- FDA UNII
- 5 XQQ13I · OCW5XQQ13I
Chemistry & industry
Suppliers2 total
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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