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AMD 3465 Hexahydrobromide 25mg

CAT: 0628-A11953-25Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0628-A11953-25Size:25 mg
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CAS Number
185991-07-5

Chemical Information

AMD 3465 hexahydrobromide
CAS Number185991-07-5
PubChem CID9897616
IUPAC NameN-(pyridin-2-ylmethyl)-1-[4-(1,4,8,11-tetrazacyclotetradec-1-ylmethyl)phenyl]methanamine;hexahydrobromide
Molecular FormulaC24H44Br6N6
Molecular Weight896.1
Topological Polar Surface Area64.3
Hydrogen Bond Donor Count10
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Heavy Atom Count36
Formal Charge0
Complexity413
SMILES
C1CNCCNCCCN(CCNC1)CC2=CC=C(C=C2)CNCC3=CC=CC=N3.Br.Br.Br.Br.Br.Br
InChI
InChI=1S/C24H38N6.6BrH/c1-2-13-29-24(5-1)20-28-19-22-6-8-23(9-7-22)21-30-17-4-12-26-15-14-25-10-3-11-27-16-18-30;;;;;;/h1-2,5-9,13,25-28H,3-4,10-12,14-21H2;6*1H
InChIKey
ARHBIBDGWDRBJH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of AMD 3465 hexahydrobromide
CAS: 185991-07-5
CID: 9897616
Formula: C24H44Br6N6
MW: 896.1
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight896.1
Hydrogen Bond Donor Count10
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Exact Mass895.86662
Monoisotopic Mass889.87277
Topological Polar Surface Area64.3 Ų
Heavy Atom Count36
Formal Charge0
Complexity413
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count7
Compound Is CanonicalizedYes

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