N-Hydroxymethyl Sumatriptan

CAT: 0926-FH175834-02Size: 25 mgDry Ice: NoHazardous: No

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CAT#:0926-FH175834-02Size:25 mg

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CAS Number

1797905-62-4

Smiles

CNS (=O) (=O) Cc1ccc2c (c1) c (CCN (C) C) cn2CO

Molecular Formula

C15H23N3O3S

Molecular Weight

325.43 g/mol

Controlled

Chemical Information

(3-(2-(Dimethylamino)ethyl)-1-(hydroxymethyl)-1H-indol-5-YL)-N-methylmethanesulfonamide

CAS Number	1797905-62-4
PubChem CID	57903459
IUPAC Name	1-[3-[2-(dimethylamino)ethyl]-1-(hydroxymethyl)indol-5-yl]-N-methylmethanesulfonamide
Molecular Formula	C15H23N3O3S
Molecular Weight	325.4
XLogP	0.5
Topological Polar Surface Area	83
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	7
Heavy Atom Count	22
Formal Charge	0
Complexity	449

SMILES

CNS(=O)(=O)CC1=CC2=C(C=C1)N(C=C2CCN(C)C)CO

InChI

InChI=1S/C15H23N3O3S/c1-16-22(20,21)10-12-4-5-15-14(8-12)13(6-7-17(2)3)9-18(15)11-19/h4-5,8-9,16,19H,6-7,10-11H2,1-3H3

InChIKey

LLFXXOGYYGFSFW-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1797905-62-4

CID: 57903459

Formula: C15H23N3O3S

MW: 325.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	325.4
XLogP3	0.5
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	7
Exact Mass	325.14601278
Monoisotopic Mass	325.14601278
Topological Polar Surface Area	83 Å²
Heavy Atom Count	22
Formal Charge	0
Complexity	449
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
FS27975-01	Sumatriptan N-oxide
FD21325-01	N-Desmethyl sumatriptan
FD156804-01	N-Desmethyl sumatriptan hemisuccinate
FD146133-01	Sumatriptan
FD27976-01	Sumatriptan succinate
XFC19580-01	Sumatriptan-d6 (succinate)
FS173350-01	Sumatriptan impurity H
FH103419-01	N- (Hydroxymethyl) trifluoroacetamide
DAA37035-01	N- (Hydroxymethyl) stearamide
JCA96254-01	Tebuthiuron-N-hydroxymethyl

Catalog	Name
TRC-H948775-100MG	N-Hydroxymethyl Sumatriptan
AR-S02130-01	Sumatriptan 5-Hydroxymethyl Impurity
CS-O-38868	N-Nitroso Sumatriptan
021206-01	Sumatriptan N-Oxide
CS-O-39403	N, N-Dinitroso Sumatriptan
AR-S02115-01	Sumatriptan EP Impurity D (Sumatriptan N-Oxide)
271708-01	N-Desmethyl sumatriptan discontinued
RM-S132013-01	N-Nitroso-Desmethyl-Sumatriptan
sc-474996	Sumatriptan-d6 N-Oxide
AR-S11058-01	N-Nitroso Sumatriptan Nitrite