Basic information
- CAS
132-89-8- Standard SMILES
O=C1NC(CCCl)Oc2ccccc21- InChIKey
YEKMWXFHPZBZLR-UHFFFAOYSA-N- Molecular formula
- C10H10ClNO2
- Average molar mass
- 211.64 g/mol
- Monoisotopic mass
- 211.0400063
Overview
Chlorthenoxazine is a benzoxazine.
Names & identifiers
- Preferred name
- Chlorthenoxazine
- IUPAC
- 2-(2-chloroethyl)-2,3-dihydro-1,3-benzoxazin-4-one
- English name
- chlorthenoxazine
- Molecular formula
- C12H8ClNO
- Molecular weight
- 217.65102
Names & synonyms
Chlorthenoxazine132-89-8ApirazinReumagripValmorinOssazoneValtorinOssipirinaPiroxinaAP 67ClortenoxazinaChlorthenoxazinum
Show more names
Chlorthenoxazine, 10 mM in DMSO
AP-67NSC-525254KA0B657LV3RefChem:918510205-082-3ChlorethylbenzmethoxazoneChlorthenoxazinReulin
Database identifiers
- CAS
132-89-8- PubChem CID
- 8602
- DTXSID
DTXSID70861786- ChEMBL
CHEMBL124815- ChEBI
CHEBI:134882- UNII
- KA0B657LV3
- EC Number
- 205-082-3
- Nikkaji
- J8.633I
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 38.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 222
Experimental & physicochemical properties
Human DrugsPharmaceuticals
Physicochemical properties
- Melting point
- 146 · 146-147° (dec)
- Boiling point
- 303 °C · 303°C (rough estimate)
- Density
- 1.2414 · 1.2414 (rough estimate)
- refractive index
- 1.55 · 1.5500 (estimate)
- storage temp.
- -20 °C · Store at -20°C
- solubility
- Soluble in DMSO
- form
- Solid
- pka
- 12.7 · 12.70±0.40(Predicted)
- color
- White to off-white
- FDA UNII
- 0 B657LV3 · KA0B657LV3
Chemistry & industry
Uses & manufacturing
Use ClassificationPharmaceuticals
Upstream & downstream products
Upstream raw materials
Suppliers14 total
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
Hangzhou IKSChem Technology Co., Limited13625816949 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
陕西缔都医药化工有限公司029-029-81120477 17792793610 · [email protected]
上海鹤成医药科技有限公司13564747822 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 13913916777 · [email protected]
苏州诺行贸易有限公司0512-65816829 18662214788 · [email protected]
武汉爱默尔特科技有限公司027-888-4366503 13986279625 · [email protected]
TargetMol中国（陶术生物）4008200310 15002144251 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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