Basic information
- CAS
56-97-3- Standard SMILES
ON=Cc1cc[n+](CCC[n+]2ccc(C=NO)cc2)cc1.[Br-].[Br-]- InChIKey
JHZHWVQTOXIXIV-UHFFFAOYSA-N- Molecular formula
- C15H18Br2N4O2
- Average molar mass
- 446.14 g/mol
- Monoisotopic mass
- 443.97965
Overview
See also: Trimedoxime Bromide (preferred); Trimedoxime (has active moiety).
Names & identifiers
- Preferred name
- Trimethylen-bis-(pyridinium-4-aldoxim)-dibromid
- IUPAC
- N-[[1-[3-[4-(hydroxyiminomethyl)pyridin-1-ium-1-yl]propyl]pyridin-1-ium-4-yl]methylidene]hydroxylamine dibromide
- English name
- 1,1'-Trimethylene-bis(4-formylpyridinium bromide) dioxime
- Molecular formula
- C15H18Br2N4O2
- Molecular weight
- 446.14
Names & synonyms
orb1740401SCHEMBL5705579NS00041185Trimethylen-bis-(pyridinium-4-aldoxim)-dibromidoxo-[[1-[3-[4-(oxoazaniumylmethylidene)pyridin-1-yl]propyl]pyridin-4-ylidene]methyl]azanium,dibromideTMB-4trimedoximec434DipiroximTrimedoximunTrimedoxime Ntmb-4dibromide
Show more names
trimedoximebromidedipiroximdibromidedipyroximdibromide
Database identifiers
- CAS
56-97-3- PubChem CID
- 5968
- DTXSID
DTXSID101036063
Properties
Computed structural properties
- Topological polar surface area
- 72.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 301
Physicochemical properties
- Melting point
- 231 °C · 231 °C (dec.)(lit.)
- storage temp.
- 20 °C · −20°C
- FDA UNII
- 0 GXI9825 · ED0GXI9825
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 335 · H335-H315-H319
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-37/39
- RTECS
- 7525000 · UU7525000
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- rtecs
- UU7525000
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-37/39
- Hazard statements
- H335-H315-H319
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Applications
UsesTrimedoxime (TMB-4) is a potent reactivator of AChE. Trimedoxime shows potency in inducing oxidative stress, with the IC50 of 22 mM[1].
Suppliers14 total
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
浙江珲达生物科技有限公司0571-89903022 18679456698 · [email protected]
武汉卓嘉科技有限公司027-51118240 18627830133;13476056444 · [email protected]
武汉丰泰威远科技有限公司+86-27-8746-5837 +86-18627785180 · [email protected]
武汉丰泰威远科技有限公司027-87465837 19945049750 · [email protected]
韶关市启程生物科技有限公司18122215013 · [email protected]
陕西缔都医药化工有限公司+86-29-81139210 +86-17392587031 · [email protected]
上海源叶生物科技有限公司18916372613 · [email protected]
上海陶术生物科技股份有限公司13564774135 · [email protected]
上海超岚化工科技中心（原上海巢莱）0-2022843681 15618226720 · [email protected]
杭州洁汉化工有限公司+86-571-86217390; +8618058761490 · [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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