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Almotriptan Hydrochloride

CAT: 0572-TRC-A575201-5MGSize: 5 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-A575201-5MGSize:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
154323-46-3
Hazard Statement
Not a hazardous substance according to GHS.
Purity
>95% (HPLC)
Smiles
Cl.CN(C)CCc1c[nH]c2ccc(CS(=O)(=O)N3CCCC3)cc12
Molecular Formula
C17H26ClN3O2S
Molecular Weight
371.93
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

Almotriptan Hydrochloride
CAS Number154323-46-3
PubChem CID19417476
IUPAC NameN,N-dimethyl-2-[5-(pyrrolidin-1-ylsulfonylmethyl)-1H-indol-3-yl]ethanamine;hydrochloride
Molecular FormulaC17H26ClN3O2S
Molecular Weight371.9
Topological Polar Surface Area64.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Heavy Atom Count24
Formal Charge0
Complexity483
SMILES
CN(C)CCC1=CNC2=C1C=C(C=C2)CS(=O)(=O)N3CCCC3.Cl
InChI
InChI=1S/C17H25N3O2S.ClH/c1-19(2)10-7-15-12-18-17-6-5-14(11-16(15)17)13-23(21,22)20-8-3-4-9-20;/h5-6,11-12,18H,3-4,7-10,13H2,1-2H3;1H
InChIKey
FUORSACTMVYHCT-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Almotriptan Hydrochloride
CAS: 154323-46-3
CID: 19417476
Formula: C17H26ClN3O2S
MW: 371.9
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight371.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Exact Mass371.1434259
Monoisotopic Mass371.1434259
Topological Polar Surface Area64.8 Ų
Heavy Atom Count24
Formal Charge0
Complexity483
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes