BD 1008 Dihydrobromide
PubChem CID
45073417
Structure
Molecular Formula
Synonyms
- BD 1008 DIHYDROBROMIDE
- 138356-09-9
- BD-1008 (dihydrobromide)
- BD-1008 HBr
- N-[2-(3,4-dichlorophenyl)ethyl]-N-methyl-1-pyrrolidineethanamine, dihydrobromide
Molecular Weight
463.1 g/mol
Computed by PubChem 2.2 (PubChem release 2024.11.20)
Parent Compound
Component Compounds
Dates
- Create:2010-03-29
- Modify:2025-01-18
Chemical Structure Depiction
3D Conformer of Parent
2-(3,4-dichlorophenyl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)ethanamine;dihydrobromide
Computed by Lexichem TK 2.7.0 (PubChem release 2024.11.20)
InChI=1S/C15H22Cl2N2.2BrH/c1-18(10-11-19-7-2-3-8-19)9-6-13-4-5-14(16)15(17)12-13;;/h4-5,12H,2-3,6-11H2,1H3;2*1H
Computed by InChI 1.07.0 (PubChem release 2024.11.20)
YTBUMHOSKIAYCZ-UHFFFAOYSA-N
Computed by InChI 1.07.0 (PubChem release 2024.11.20)
CN(CCC1=CC(=C(C=C1)Cl)Cl)CCN2CCCC2.Br.Br
Computed by OEChem 2.3.0 (PubChem release 2024.12.12)
C15H24Br2Cl2N2
Computed by PubChem 2.2 (PubChem release 2024.11.20)
- BD 1008 DIHYDROBROMIDE
- 138356-09-9
- BD-1008 (dihydrobromide)
- BD-1008 HBr
- N-[2-(3,4-dichlorophenyl)ethyl]-N-methyl-1-pyrrolidineethanamine, dihydrobromide
- 1-Pyrrolidineethanamine, N-[2-(3,4-dichlorophenyl)ethyl]-N-methyl-, hydrobromide (1:2)
- 138356-09-9 (HBr)
- BD1008 dihydrobromide;BD 1008 dihydrobromide
- N-[2-(3,4-Dichlorophenyl)ethyl]-N-methyl-2-(1-pyrrolidinyl)ethylamine dihydrobromide
- 2-(3,4-dichlorophenyl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)ethanamine;dihydrobromide
- SCHEMBL467371
- CHEMBL5483051
- GLXC-03947
- EX-A5601
- AKOS024458498
- DA-50994
- TS-08203
- HY-100966
- CS-0020646
- SR-01000597939
- J-007122
- SR-01000597939-1
- [2-(3,4-dichlorophenyl)ethyl](methyl)[2-(pyrrolidin-1-yl)ethyl]amine dihydrobromide
- 2-(3,4-dichlorophenyl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)ethanamine dihydrobromide
- N-(3,4-dichlorophenethyl)-N-methyl-2-(pyrrolidin-1-yl)ethanamine dihydrobromide
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
463.1 g/mol
Reference
Computed by PubChem 2.2 (PubChem release 2024.11.20)
Property Name
Hydrogen Bond Donor Count
Property Value
2
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2024.11.20)
Property Name
Hydrogen Bond Acceptor Count
Property Value
2
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2024.11.20)
Property Name
Rotatable Bond Count
Property Value
6
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2024.11.20)
Property Name
Exact Mass
Property Value
461.96628 Da
Reference
Computed by PubChem 2.2 (PubChem release 2024.11.20)
Property Name
Monoisotopic Mass
Property Value
459.96833 Da
Reference
Computed by PubChem 2.2 (PubChem release 2024.11.20)
Property Name
Topological Polar Surface Area
Property Value
6.5 Ų
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2024.11.20)
Property Name
Heavy Atom Count
Property Value
21
Reference
Computed by PubChem
Property Name
Formal Charge
Property Value
0
Reference
Computed by PubChem
Property Name
Complexity
Property Value
257
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2024.11.20)
Property Name
Isotope Atom Count
Property Value
0
Reference
Computed by PubChem
Property Name
Defined Atom Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Undefined Atom Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Defined Bond Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Undefined Bond Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Covalently-Bonded Unit Count
Property Value
3
Reference
Computed by PubChem
Property Name
Compound Is Canonicalized
Property Value
Yes
Reference
Computed by PubChem (release 2021.10.14)
Follow these links to do a live 2D search or do a live 3D search for this compound, sorted by annotation score. This section is deprecated (see here for details), but these live search links provide equivalent functionality to the table that was previously shown here.
Same Connectivity Count
Same Parent, Connectivity Count
Same Parent, Exact Count
Mixtures, Components, and Neutralized Forms Count
Similar Compounds (2D)
Similar Conformers (3D)
Same Count
Patents are available for this chemical structure:
https://patentscope.wipo.int/search/en/result.jsf?inchikey=YTBUMHOSKIAYCZ-UHFFFAOYSA-N
- ChEMBLLICENSEAccess to the web interface of ChEMBL is made under the EBI's Terms of Use (http://www.ebi.ac.uk/Information/termsofuse.html). The ChEMBL data is made available on a Creative Commons Attribution-Share Alike 3.0 Unported License (http://creativecommons.org/licenses/by-sa/3.0/).http://www.ebi.ac.uk/Information/termsofuse.html
- PubChem
- PATENTSCOPE (WIPO)SID 397065942https://pubchem.ncbi.nlm.nih.gov/substance/397065942
CONTENTS