Almotriptan Impurity 4

CAT: 1596-AR-A01701-02Size: 25 UnitsDry Ice: NoHazardous: No

1 / 1

CAT#:1596-AR-A01701-02Size:25 Units

Selected

24/48H Stock Items & 2 to 6 Weeks non Stock Items.

Quick Request Actions

CAS Number

334981-31-6

Synonyms

2-methyl-6- ((pyrrolidin-1-ylsulfonyl) methyl) -2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole

Molecular Formula

C17H23N3O2S

Molecular Weight

333.45

API Name

Almotriptan

Chemical Information

2-methyl-6-((pyrrolidin-1-ylsulfonyl)methyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole

CAS Number	334981-31-6
PubChem CID	11290538
IUPAC Name	2-methyl-6-(pyrrolidin-1-ylsulfonylmethyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole
Molecular Formula	C17H23N3O2S
Molecular Weight	333.5
XLogP	1.5
Topological Polar Surface Area	64.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Heavy Atom Count	23
Formal Charge	0
Complexity	526

SMILES

CN1CCC2=C(C1)NC3=C2C=C(C=C3)CS(=O)(=O)N4CCCC4

InChI

InChI=1S/C17H23N3O2S/c1-19-9-6-14-15-10-13(4-5-16(15)18-17(14)11-19)12-23(21,22)20-7-2-3-8-20/h4-5,10,18H,2-3,6-9,11-12H2,1H3

InChIKey

JTRWBUALGSUDBJ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 334981-31-6

CID: 11290538

Formula: C17H23N3O2S

MW: 333.5

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	333.5
XLogP3	1.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Exact Mass	333.15109816
Monoisotopic Mass	333.15109816
Topological Polar Surface Area	64.8 Å²
Heavy Atom Count	23
Formal Charge	0
Complexity	526
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
AR-A01698-01	Almotriptan Impurity 1
AR-A05982-01	Almotriptan Impurity 9
AR-A05963-01	Almotriptan Impurity 11
AR-A05980-01	Almotriptan Impurity 7
AR-A05964-01	Almotriptan Impurity 12
AR-A05981-01	Almotriptan Impurity 8
AR-A01692-01	Almotriptan Hydroxymethyl Impurity
AR-A01702-01	Almotriptan Impurity 5
AR-A05962-01	Almotriptan Impurity 10
AR-A05979-01	Almotriptan Impurity 6 DiHCl (Almotriptan N-Dimer Impurity DiHCl)

Catalog	Name
FDC16613-01	Almotriptan dimer impurity
RM-A121701-01	Almotriptan Impurity 1
RM-A121702-01	Almotriptan Impurity 2
RM-A121704-01	Almotriptan Impurity 4
RM-A121703-01	Almotriptan Impurity 3
RM-A121706-01	Almotriptan Impurity 6
RM-A121705-01	Almotriptan Impurity 5
CS-O-41023-10MG	N-Nitroso Desmethyl Almotriptan impurity
CS-O-45725	N-Nitroso Almotriptan Isopropyl Impurity
MBS5764789	Almotriptan