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Alosetron-d3 Hydrochloride

CAT: 0572-TRC-A575502-25MGSize: 25 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-A575502-25MGSize:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1189919-71-8
Hazard Statement
No Data Available
Smiles
Cl.[2H]C([2H])([2H])n1c2CCN(Cc3[nH]cnc3C)C(=O)c2c4ccccc14
Molecular Formula
C17 D3 H15 N4 O . H Cl
Molecular Weight
333.83
InChI
InChI=1S/C17H18N4O.ClH/c1-11-13(19-10-18-11)9-21-8-7-15-16(17(21)22)12-5-3-4-6-14(12)20(15)2;/h3-6,10H,7-9H2,1-2H3,(H,18,19);1H/i2D3;
Additionnal Information
IUPAC name: 2-[(4-methyl-1H-imidazol-5-yl)methyl]-5-(trideuteriomethyl)-3,4-dihydropyrido[4,3-b]indol-1-one;hydrochloride
Shipping Conditions
Room Temperature

Chemical Information

Alosetron-d3 Hydrochloride
CAS Number1189919-71-8
PubChem CID46780129
IUPAC Name2-[(5-methyl-1H-imidazol-4-yl)methyl]-5-(trideuteriomethyl)-3,4-dihydropyrido[4,3-b]indol-1-one;hydrochloride
Molecular FormulaC17H19ClN4O
Molecular Weight333.8
Topological Polar Surface Area53.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count23
Formal Charge0
Complexity442
SMILES
[2H]C([2H])([2H])N1C2=C(C3=CC=CC=C31)C(=O)N(CC2)CC4=C(NC=N4)C.Cl
InChI
InChI=1S/C17H18N4O.ClH/c1-11-13(19-10-18-11)9-21-8-7-15-16(17(21)22)12-5-3-4-6-14(12)20(15)2;/h3-6,10H,7-9H2,1-2H3,(H,18,19);1H/i2D3;
InChIKey
FNYQZOVOVDSGJH-MUTAZJQDSA-N
Chemical Structure
2D Structure
2D structure of Alosetron-d3 Hydrochloride
CAS: 1189919-71-8
CID: 46780129
Formula: C17H19ClN4O
MW: 333.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight333.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass333.1435692
Monoisotopic Mass333.1435692
Topological Polar Surface Area53.9 Ų
Heavy Atom Count23
Formal Charge0
Complexity442
Isotope Atom Count3
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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