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Alosetron-d3

CAT: 1596-AR-A01759-04Size: 100 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-A01759-04Size:100 Units
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1189919-71-8
Synonyms
5-methyl-2- ((5-methyl-1H-imidazol-4-yl) methyl) -2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indol-1-one-D3;2,3,4,5-Tetrahydro-5- (methyl-d3) -2-[ (4-methyl-1H-imidazol-5-yl) methyl]-1H-pyrido[4,3-b]indol-1-one Hydrochloride; GR 68755-d3; GR 68755X-d3; Lotronex-d3
Molecular Formula
C17H15N4OD3
Molecular Weight
297.38
API Name
Alosetron

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
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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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HY-70050AS-01Alosetron-d3
TMIJ-0066-01Alosetron-13C-d3
T19190-01Alosetron D3 Hydrochloride
sc-217614Alosetron-d3 Hydrochloride
CS-T-103338Alosetron M5-d3
HY-70050CS-01Alosetron-d3 (hydrochloride)
438635-016-Hydroxy Alosetron-d3
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A3157-10Alosetron

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