Sumatriptan Impurity 10

CAT: 1596-AR-B08157-01Size: 10 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-B08157-01Size:10 Units

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CAS Number

6139-84-0

Synonyms

4-Chlorobutanal

Molecular Formula

C4H7ClO

Molecular Weight

106.55

API Name

Sumatriptan

Chemical Information

4-Chlorobutanal

CAS Number	6139-84-0
PubChem CID	242200
IUPAC Name	4-chlorobutanal
Molecular Formula	C4H7ClO
Molecular Weight	106.55
XLogP	0.6
Topological Polar Surface Area	17.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	3
Heavy Atom Count	6
Formal Charge	0
Complexity	36

SMILES

C(CC=O)CCl

InChI

InChI=1S/C4H7ClO/c5-3-1-2-4-6/h4H,1-3H2

InChIKey

DOQLCJMCQWQQHK-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 6139-84-0

CID: 242200

Formula: C4H7ClO

MW: 106.55

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	106.55
XLogP3	0.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	3
Exact Mass	106.0185425
Monoisotopic Mass	106.0185425
Topological Polar Surface Area	17.1 Å²
Heavy Atom Count	6
Formal Charge	0
Complexity	36.5
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-S02113-01	Sumatriptan Impurity 3
AR-S02125-01	Sumatriptan Impurity 5
AR-S09412-01	Sumatriptan Nitroso Impurity
AR-S02114-01	Sumatriptan EP Impurity A
AR-S11057-01	Sumatriptan Impurity 15
AR-S09366-01	Sumatriptan Impurity 1
AR-S11054-01	Sumatriptan Impurity 13
AR-S11055-01	Sumatriptan Impurity 14
AR-S11059-01	Sumatriptan Cyanomethyl Impurity
AR-S02123-01	Sumatriptan Impurity 4

Catalog	Name
TRC-S810005-5MG	Sumatriptan Hydroxy-Oxindole Impurity (Sumatriptan Impurity 1)
FS173350-01	Sumatriptan impurity H
RM-S132010-01	Sumatriptan Amine Impurity
TRC-S810020-100MG	Sumatriptan Hydroxy-Oxindole Impurity Hydrochloride (Sumatriptan Impurity 1)
RM-S132014-01	Sumatriptan Impurity 14
RM-S132015-01	Sumatriptan Impurity 15
RM-S132011-01	Sumatriptan Chloro Impurity
RM-S132009-01	Sumatriptan Hydrazine Impurity
FS175833-01	Sumatriptan EP Impurity A
RM-S132012-01	Sumatriptan Impurity 12