Dibrospidium Chloride
Basic information
- CAS
86641-76-1- Standard SMILES
O=C(CCBr)N1CC[N+]2(CC1)CC[N+]1(CCN(C(=O)CCBr)CC1)CC2.[Cl-].[Cl-]- InChIKey
CURYRIVJTBNEGU-UHFFFAOYSA-L- Molecular formula
- C18H32Br2Cl2N4O2
- Average molar mass
- 567.2 g/mol
- Monoisotopic mass
- 564.02691
Overview
Dibrospidium Chloride is a dispirotripiperazine derivative and alkylating agent with potential antineoplastic and anti-inflammatory activities. Dibrospidium chloride has been examined for the treatment of bone cancer.
Names & identifiers
- Preferred name
- Dibrospidium Chloride
- IUPAC
- 3-bromo-1-[12-(3-bromopropanoyl)-3,12-diaza-6,9-diazoniadispiro[5.2.59.26]hexadecan-3-yl]propan-1-one dichloride
- English name
- spirobromin
- Molecular formula
- C18H32Br2ClN4O2+
- Molecular weight
- 531.74
Names & synonyms
Dibrospidium Chloride86641-76-1Cloruro de dibrospidioDibrospidium chloride [INN]Chlorure de dibrospidiumDibrospidii chloridumDibrospidii chloridum [Latin]Cloruro de dibrospidio [Spanish]Chlorure de dibrospidium [French]UNII-GRX5L9Y3Z3GRX5L9Y3Z3N,N'''-Di(beta-bromopropionyl)-N',N''-dispirotripiperazinium dichloride
Show more names
3,12-Bis(3-bromopropanoyl)-3,12-diaza-6,9-diazoniadispiro[5.2.5.2]hexadecane dichloride
3,12-Bis(3-bromo-1-oxopropyl)-3,12-diaza-6,9-diazoniadispiro(5.2.5.2)hexadecane dichloride3,12-Bis(3-bromopropionyl)-3,12-diaza-6,9-diazoniadispiro(5.2.5.2)hexadecane dichlorideN,N(sup 3)-Di(beta-bromopropionyl)-N(sup 1),N(sup 2)-dispirotripiperazinium dichloride3,12-Diaza-6,9-diazoniadispiro(5.2.5.2)hexadecane, 3,12-bis(3-bromo-1-oxopropyl)-, dichlorideDibrospidii chloridum (Latin)RefChem:132917Spirobrominspirobromine
Database identifiers
- CAS
86641-76-1- PubChem CID
- 72114
- DTXSID
DTXSID101006989- ChEMBL
CHEMBL2106677- UNII
- GRX5L9Y3Z3
- EC Number
- 144-054-4
Properties
Computed structural properties
- Topological polar surface area
- 40.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 457
Physicochemical properties
- FDA UNII
- 5 L9Y3Z3 · GRX5L9Y3Z3
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
- HazardClass
- IRRITANT
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
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, 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 CategoriesSkin Irrit. 2 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_class
- IRRITANT
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
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Related reactions
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Compound notes
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