Basic information
- CAS
18080-67-6- Standard SMILES
O=[n+]1c(CBr)c(CBr)n([O-])c2ccccc21- InChIKey
DQKNFTLRMZOAMG-UHFFFAOYSA-N- Molecular formula
- C10H8Br2N2O2
- Average molar mass
- 347.99 g/mol
- Monoisotopic mass
- 345.89525
Overview
structure in first source
Names & identifiers
- Preferred name
- 2,3-Bis(bromomethyl)quinoxaline-1,4-dioxide
- IUPAC
- 2,3-bis(bromomethyl)-4-oxidoquinoxalin-1-ium 1-oxide
- English name
- 2,3-Bis(bromomethyl)quinoxaline 1,4-dioxide
- Molecular formula
- C10H8Br2N2O2
- Molecular weight
- 347.99
Names & synonyms
2,3-Bis(bromomethyl)quinoxaline-1,4-dioxideRefChem:441912Conoidin A18080-67-62,3-Bis(bromomethyl)quinoxaline 1,4-dioxideQuinoxaline, 2,3-bis(bromomethyl)-, 1,4-dioxideConoidin A?2,3-bis(bromomethyl)-4-oxidoquinoxalin-1-ium 1-oxideCHEMBL48606842,3-BIS(BROMOMETHYL)-1-OXOQUINOXALIN-1-IUM-4(1H)-OLATEBBMQCBDivE_002990
Show more names
Conoidin A, 10 mM in DMSOPeroxiredoxin Inhibitor, Conoidin A1,4-Dioxo-2,3-dibromomethylquinolineantioxidative,antioxidant,heart disease,Parasite,Inhibitor,Peroxiredoxin II,hyperperoxidation,Conoidin A,ischaemic,inhibit,neuroprotective
orb1218596orb1306237SCHEMBL21877865SCHEMBL29849062DTXSID30333530GLXC-03946EX-A5048NSC845108
Database identifiers
- CAS
18080-67-6
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 46.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 303
Physicochemical properties
- Melting point
- 180 · 180-190 °C (decomp)
- Boiling point
- 512.3 · 512.3±60.0 °C(Predicted)
- Density
- 1.95 · 1.95±0.1 g/cm3(Predicted)
- storage temp.
- -20 °C · -20°C
- solubility
- 25 mg/ml; · DMF: 25 mg/ml; DMF:PBS(pH 7.2)(1:1): 0.5 mg/ml; DMSO: 20 mg/ml
- form
- A crystalline solid
- pka
- 1.91 · 1.91±0.30(Predicted)
- color
- White to yellow
- InChI
- 1S/C10H8Br2N2O2/c11-5-9-10(6-12)14(16)8-4-2-1-3-7(8)13(9)15/h1-4H,5-6H2
- InChIKey
- DQKNFTLRMZOAMG-UHFFFAOYSA-N
- SMILES
- BrCC1=C(N(c2c(cccc2)[N+]1=O)[O-])CBr
- UNSPSC Code
- 12352200 · 12352200
- NACRES
- 77 · NA.77
- Hazard statements
- 413 · H413
- Precautionary statements
- 273 · P273-P501
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
H413 (100%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]
P273, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAquatic Chronic 4 (100%)
Safety data
- wgk
- WGK 3
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H413
- Hazard Classifications
- Aquatic Chronic 4
- Precautionary statements
- P273-P501
Chemistry & industry
Applications
UsesConoidin A is a peroxiredoxin inhibitor.
Suppliers45 total
湖北蝶化新材料科技有限公司86-18372897-544 18995560451 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
武汉敬康恩生物医药科技有限公司13720134139 086-15871494362 13720134139 · [email protected]
郑州汇聚化工有限公司13393710386 · [email protected]
湖北科乐精细化工有限公司027-59101668 19945030958 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
欧利希（湖北）医药科技有限公司17316404525 17316404525 · [email protected]
烟台盛凯伦生物制品有限公司13356901049 · [email protected]
InvivoChem中国13549236410 · [email protected]
MedBio脉铂医药021-69568360 18916172912 · [email protected]
銳迪國際科技有限公司18024082417 · [email protected]
上海瀚香生物科技有限公司177-54423994 17754423994 · [email protected]
韶关市启程生物科技有限公司
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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