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Sumatriptan EP Impurity A

CAT: 1596-AR-S02114-04Size: 100 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-S02114-04Size:100 Units
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CAS Number
545338-89-4
Synonyms
1- (3- (2- (dimethylamino) ethyl) -2- ((3- (2- (dimethylamino) ethyl) -1H-indol-5-yl) methyl) -1H-indol-5-yl) -N-methylmethanesulfonamide;3-[2- (Dimethylamino) ethyl]-2-[[3-[2- (dimethylamino) ethyl]-1H-indol-5-yl]methyl]-N-methyl-1H-Indole-5-methanesulfonamide; USP Sumatriptan Succinate Impurity A; Sumatriptan EP Impurity A;2-[[3-[2- (Dimethylamino) ethyl]-1H-indol-5-yl]methyl] Sumatriptan
Molecular Formula
C27H37N5O2S
Molecular Weight
495.69
API Name
Sumatriptan

Chemical Information

(3-(2-(Dimethylamino)ethyl)-2-((3-(2-(dimethylamino)ethyl)-1H-indol-5-yl)methyl)-1H-indol-5-yl)-N-methylmethanesulfonamide
CAS Number545338-89-4
PubChem CID12074066
IUPAC Name1-[3-[2-(dimethylamino)ethyl]-2-[[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]methyl]-1H-indol-5-yl]-N-methylmethanesulfonamide
Molecular FormulaC27H37N5O2S
Molecular Weight495.7
XLogP3.3
Topological Polar Surface Area92.6
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count11
Heavy Atom Count35
Formal Charge0
Complexity770
SMILES
CNS(=O)(=O)CC1=CC2=C(C=C1)NC(=C2CCN(C)C)CC3=CC4=C(C=C3)NC=C4CCN(C)C
InChI
InChI=1S/C27H37N5O2S/c1-28-35(33,34)18-20-7-9-26-24(15-20)22(11-13-32(4)5)27(30-26)16-19-6-8-25-23(14-19)21(17-29-25)10-12-31(2)3/h6-9,14-15,17,28-30H,10-13,16,18H2,1-5H3
InChIKey
UVOHQDUMFGSNEJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of (3-(2-(Dimethylamino)ethyl)-2-((3-(2-(dimethylamino)ethyl)-1H-indol-5-yl)methyl)-1H-indol-5-yl)-N-methylmethanesulfonamide
CAS: 545338-89-4
CID: 12074066
Formula: C27H37N5O2S
MW: 495.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight495.7
XLogP33.3
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count11
Exact Mass495.26679661
Monoisotopic Mass495.26679661
Topological Polar Surface Area92.6 Ų
Heavy Atom Count35
Formal Charge0
Complexity770
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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