(3aR,8aS,8bS)-1,3-dibenzyl-2-oxodecahydrothieno[1',2':1,2]thieno[3,4-d]imidazol-5-ium bromide
Basic information
- CAS
60209-10-1- Standard SMILES
O=C1N(Cc2ccccc2)[C@H]2[C@H](C[S+]3CCC[C@@H]23)N1Cc1ccccc1.[Br-]- InChIKey
RLXRHLGEJDJGKC-SUQIFGLUSA-M- Molecular formula
- C22H25BrN2OS
- Average molar mass
- 445.4 g/mol
Names & identifiers
- Preferred name
- (3aR,8aS,8bS)-1,3-dibenzyl-2-oxodecahydrothieno[1',2':1,2]thieno[3,4-d]imidazol-5-ium bromide
- IUPAC
- (1S,2S,6R)-3,5-dibenzyl-8-thionia-3,5-diazatricyclo[6.3.0.02,6]undecan-4-one bromide
- English name
- rac-Trimethaphan Bromide
- Molecular formula
- C22H25BrN2OS
- Molecular weight
- 445.42
Names & synonyms
(3aR,8aS,8bS)-1,3-Dibenzyl-2-oxodecahydrothieno[1',2':1,2]thieno[3,4-d]imidazol-5-ium bromide(3aR,8aS,8bS)-1,3-Dibenzyl-2-oxodecahydrothieno(1',2':1,2)thieno(3,4-d)imidazol-5-ium bromideThieno(1',2':1,2)thieno(3,4-d)imidazol-5-ium, decahydro-2-oxo-1,3-bis(phenylmethyl)-, bromide, (3aR,8aS,8bS)-Thieno[1',2':1,2]thieno[3,4-d]imidazol-5-ium, decahydro-2-oxo-1,3-bis(phenylmethyl)-, bromide, (3aR,8aS,8bS)-RefChem:400602EC 700-349-5700-349-533719-11-8rac-Trimethaphan Bromide(3aR,8aS,8bS)-Thieno[1',2':1,2]thieno[3,4-d]imidazol-5-ium, decahydro-2-oxo-1,3-bis(phenylmethyl) BromideBiotin EP Impurity G Bromide60209-10-1
Show more names
Biotin EP Impurity GC22H25BrN2OSDTXSID601335179(1S,2S,6R)-3,5-dibenzyl-8-thionia-3,5-diazatricyclo[6.3.0.02,6]undecan-4-one;bromide(3aR,8aS,8bS)-Decahydro-2-oxo-1,3-bis(phenylmethyl)-thieno[1a(2),2a(2):1,2]thieno[3,4-d]imidazol-5-ium bromide(3aR,8aS,8bS)-rel-Octahydro-2-oxo-1,3-bis(phenylmethyl)thieno[1',2':1,2]thieno[3,4-d]imidazol-5-ium Bromide; (3aa,8aa,8ba)-Decahydro-2-oxo-1,3-bis(phenylmethyl)thieno[1',2':1,2]thieno[3,4-d]imidazol-5-ium Bromide; (3aa,8aa,8ba)-(+/-)-Decahydro-2-oxo-1,3-bis(phenylmethyl)thieno[1',2':1,2]thieno[3,4-d]imidazol-5-ium Bromide
Properties
Computed structural properties
- Topological polar surface area
- 24.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 514
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
H412 (100%): Harmful to aquatic life with long lasting effects [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
Regulatory InformationStatus: Active Update: 10-10-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/30129
Hazard Classes and CategoriesAquatic Chronic 3 (100%)
Chemistry & industry
Applications
Usesrac-Trimethaphan Bromide is a derivative of Biotin (B389040). Trimethaphan is used as a ganglionic blocker in hypertension.
Related reactions
0 records
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Compound notes
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