Zolmitriptan Impurity 26

CAT: 1596-AR-Z01390-06Size: 250 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-Z01390-06Size:250 Units

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CAS Number

16851-30-2

Synonyms

3,3-Diethoxy-N, N-dimethylpropan-1-amine

Molecular Formula

C9H21NO2

Molecular Weight

175.27

API Name

Zolmitriptan

Chemical Information

(3,3-Diethoxypropyl)dimethylamine

CAS Number	16851-30-2
PubChem CID	20540449
IUPAC Name	3,3-diethoxy-N,N-dimethylpropan-1-amine
Molecular Formula	C9H21NO2
Molecular Weight	175.27
XLogP	1.2
Topological Polar Surface Area	21.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	7
Heavy Atom Count	12
Formal Charge	0
Complexity	90

SMILES

CCOC(CCN(C)C)OCC

InChI

InChI=1S/C9H21NO2/c1-5-11-9(12-6-2)7-8-10(3)4/h9H,5-8H2,1-4H3

InChIKey

YNVCGLCZEGMEOS-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 16851-30-2

CID: 20540449

Formula: C9H21NO2

MW: 175.27

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	175.27
XLogP3	1.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	7
Exact Mass	175.157228913
Monoisotopic Mass	175.157228913
Topological Polar Surface Area	21.7 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	90.5
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-Z01124-01	Zolmitriptan Impurity 1
AR-Z01139-01	Zolmitriptan Impurity 8
AR-Z01131-01	Zolmitriptan hydroxymethyl Impurity
AR-Z01392-01	Zolmitriptan Impurity 13
AR-Z01142-01	Zolmitriptan Aminopropanol Impurity
AR-Z01388-01	Zolmitriptan Impurity 24
AR-Z01382-01	Zolmitriptan Impurity 6
AR-Z01398-01	Zolmitriptan Impurity 21
AR-Z01387-01	Zolmitriptan Impurity 23
AR-Z01141-01	Zolmitriptan Impurity 10

Catalog	Name
CS-EO-01449	Zolmitriptan hydroxymethyl Impurity
RM-Z132021-01	Zolmitriptan Impurity 21
RM-Z132012-01	Zolmitriptan Impurity 12
RM-Z132017-01	Zolmitriptan Impurity 17
RM-Z132011-01	Zolmitriptan Impurity 11
CS-EO-04018	Zolmitriptan Impurity 3
CS-IP-00378	Zolmitriptan Impurity C
RM-Z132013-01	Zolmitriptan Impurity 13
RM-Z132018-01	Zolmitriptan Impurity 18
RM-Z132009-01	β-Carboline Zolmitriptan; Zolmitriptan EP Impurity H